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Intrinsic edge asymmetry in narrow zigzag hexagonal heteroatomic nanoribbons causes their subtle uniform curvature / P. V. Avramov [et al.] // J. Phys. Chem. Lett. - 2012. - Vol. 3, Is. 15. - P. 2003-2008, DOI 10.1021/jz300625t. - Cited References: 42. - This work was supported by JAEA Research fellowship (P.V.A.). P.V.A. also acknowledges JAEA ASRC and the Molecular Spintronics Group for hospitality and fruitful collaboration. D.G.F. thanks Prof. Kazuo Kitaura for many fruitful discussions and the Next Generation SuperComputing Project, Nanoscience Program and Strategic Programs for Innovative Research (MEXT, Japan) for financial support. This work was partially supported by Russian Ministry of Education and Science (Contract No. 16.552.11.7014) (P.B.S.). . - ISSN 1948-7185

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Atomic, Molecular & Chemical + Boron nitride + Density functional theory + Electronic structure + Fluorine + Graphene + Orbital calculations + Quantum chemistry + Silicon carbide
Рубрики:
MOLECULAR-ORBITAL METHOD
   WALLED CARBON NANOTUBES
   GRAPHENE NANORIBBONS
   ELECTRONIC-STRUCTURE
   OPTICAL-TRANSITIONS
   SOLIDS
   BOND
   Aromatic rings
   Conical surfaces
   Finite length
   Fragment molecular orbital methods
   Graphene nanoribbons
   Intrinsic curvature
   Nanoribbons
   Out-of-plane
   Structural stress
Кл.слова (ненормированные):
zigzag nanoribbons -- hexagonal atomic lattices -- fluorine-terminated graphene
Аннотация: The atomic and electronic structure of narrow zigzag nanoribbons with finite length, consisting of graphene terminated by fluorine on one side, hexagonal (h) h-BN, and h-SiC were studied with density functional theory. It is found that the asymmetry of nanoribbon edges causes a uniform curvature of the ribbons due to structural stress in the aromatic ring plane. Narrow graphene nanoribbons terminated with fluorine on one side demonstrate a considerable out-of-plane bend, suggesting that the nanoribbon is a fraction of a conical surface. It is shown that the intrinsic curvature of the narrow nanoribbons destroys the periodicity and results in a systematic cancellation of the dipole moment. The in- and out- of-plane curvature of thin arcs allows their closure in nanorings or cone fragments of giant diameter. Using the fragment molecular orbital method, we optimized the structure of a planar giant arc and a closed ring of h-BN with a diameter of 105 nm.

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Держатели документа:
[Avramov, Pavel V.
Sakai, Seiji
Entani, Shiro
Ohtomo, Manabu
Matsumoto, Yoshihiro
Naramoto, Hiroshi] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
[Avramov, Pavel V.] LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
[Fedorov, Dmitri G.] Natl Inst Adv Ind Sci & Technol, Nanosyst Res Inst, Tsukuba, Ibaraki 3058568, Japan
[Sorokin, Pavel B.] Technol Inst Superhard & Novel Carbon Mat, Troitsk 142190, Moscow Region, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Fedorov, D. G.; Sorokin, P. B.; Sakai, S.; Entani, S.; Ohtomo, M.; Matsumoto, Y.; Naramoto, H.
}
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Synthesis, structural, magnetic, and electronic properties of cubic CsMnMoO3F3 oxyfluoride / V. V. Atuchin [et al.] // J. Phys. Chem. C. - 2012. - Vol. 116, Is. 18. - P. 10162-10170, DOI 10.1021/jp302020f. - Cited References: 64. - We thank Dr. A.M. Ziatdinov for the electron paramagnetic resonance measurements. This study was partly supported by SB RAS (Grant 28). . - ISSN 1932-7447

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Рубрики:
RAY PHOTOELECTRON-SPECTROSCOPY
   PHASE-TRANSITIONS
   CORE LEVELS
   SURFACE CHARACTERIZATION
   CRYSTAL-STRUCTURE
   CLEAVED SURFACE
   MIXED-VALENCE
   OXIDES
   MN
   MOLYBDENUM
   Chemical bondings
   Cubic phase
   Energy differences
   Heat capacity measurements
   Oxyfluorides
   Powder samples
   Solid-state synthesis
   Space Groups
   Temperature range
   Valence electron
   Binding energy
   Chemical bonds
   Electronic structure
   Fluorine compounds
   Magnetic properties
   Metal ions
   Photoelectrons
   Rietveld method
   X ray photoelectron spectroscopy
   Electronic properties
Аннотация: A powder sample of CsMnMoO3F3 oxyfluoride has been prepared by solid state synthesis. The pyrochlore-related crystal structure of CsMnMoO3F3 has been refined by the Rietveld method at T = 298 K (space group Fd-3m, a = 10.59141(4) angstrom, V = 1188.123(8) angstrom(3); R-B = 3.44%). The stability of the cubic phase has been obtained over the temperature range T = 110-293 K by heat capacity measurements. Magnetic properties have been measured over the range of T = 2-300 K. The electronic structure of CsMnMoO3F3 has been evaluated by X-ray photoelectron spectroscopy. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and wide comparison with related oxides and fluorides. The competition between O-2(-) and F- ions for metal valence electrons has been found.

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Держатели документа:
Atuchin, Victor V.
Gavrilova, Tatyana A.
Kesler, Valery G.] SB RAS, Inst Semicond Phys, Novosibirsk 630090, Russia
Molokeev, Maxim S.
Yurkin, Gleb Yu.
Flerov, Igor N.
Patrin, Gennadii S.] SB RAS, Inst Phys, Krasnoyarsk 660036, Russia
Laptash, Natalia M.] FEB RAS, Inst Chem, Vladivostok 690022, Russia
Flerov, Igor N.
Patrin, Gennadii S.] Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660074, Russia

Доп.точки доступа:
Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yurkin, G. Yu.; Юркин, Глеб Юрьевич; Gavrilova, T. A.; Kesler, V. G.; Laptash, N. M.; Flerov, I. N.; Флёров, Игорь Николаевич; Patrin, G. S.; Патрин, Геннадий Семёнович
}
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Thermal properties and phase transitions in (NH4) 3ZrF7 / V. D. Fokina [et al.] // Journal of Fluorine Chemistry. - 2013. - Vol. 154. - P. 1-6, DOI 10.1016/j.jfluchem.2013.07.001 . - ISSN 0022-1139
Кл.слова (ненормированные):
Cubic fluorides -- Entropy -- Permittivity -- Phase transitions -- Pressure effect -- Thermal dilatation
Аннотация: The heat capacity, thermal dilatation, permittivity, and T-p phase diagram of (NH4)3ZrF7 have been studied in wide temperature and pressure ranges. Two phase transitions were found in addition to previously known structural transformations. The stability of crystal phases to temperature and pressure has been examined and a possibility of transition between two cubic phases has been discussed. The total excess entropy change SDSi = Rln6 is characteristic for the order-disorder processes, but its stepwise increase is not consistent with the structural model associated with the strong disorder assumed in the initial cubic phase. В© 2013 Elsevier B.V. All rights reserved.

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Держатели документа:
RAS, Siberian Dept, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
Krasnoyarsk State Agr Univ, Krasnoyarsk 660049, Russia
RAS, Far Eastern Dept, Inst Chem, Vladivostok 690022, Russia

Доп.точки доступа:
Fokina, V. D.; Фокина, Валентина Дмитриевна; Gorev, M. V.; Горев, Михаил Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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Structure, physical properties and phase transitions in (NH4)2TiF6×NH4F / I. N. Flerov [et al.] // 17th European Symposium on Fluorine Chemistry : Abstracts book. - 2013. - P. 37

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Gorev, M. V.; Горев, Михаил Васильевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Laptash, N. M.; European Symposium on Fluorine Chemistry (17 ; 2013 ; June ; 21-25 ; Paris, France)
}
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Phase transitions in defect pyrochlore structure of CsFe2F6 / M. S. Molokeev [et al.] // 17th European Symposium on Fluorine Chemistry : Abstracts book. - 2013. - P. 276

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Misyul, S. V.; Мисюль, Сергей Валентинович; Tressaud, A.; Flerov, I. N.; Флёров, Игорь Николаевич; European Symposium on Fluorine Chemistry (17 ; 2013 ; June ; 21-25 ; Paris, France)
}
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Unusual sequence of phase transitions in (NH4)3TiF7 detected by optic and calorimetric studies / S. V. Mel'nikova [et al.] // J. Fluor. Chem. - 2014. - Vol. 165. - P. 14-19, DOI 10.1016/j.jfluchem.2014.05.016. - Cited References: 13. - This work was supported by Russian Foundation for Basic Research (Grant no. 12-02-00056), and the Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (Grant no. NSh-924.2014.2). . - ISSN 0022-1139. - ISSN 1873-3328

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
CRYSTAL-STRUCTURE
DIFFRACTION
NH4F
Кл.слова (ненормированные):
Cubic fluorides -- Phase transitions -- Crystal-optic -- Calorimetry
Аннотация: For the first time structural transformations were observed for one of the compounds belonging to the family of double salt fluorides A3MeF7 = A2MeF6·AF. Single crystals of (NH4)3TiF7 = (NH4)2TiF6·NH4F were grown by evaporation of the aqueous solution. Polarizing optical observations, heat capacity and birefringence Δn = (no − ne) measurements were performed in a wide temperature range 100–400 K. Two reversible, first order structural phase transitions were found to be followed by an unusual sequence of symmetry changes: cubic (G3) (T2↓ = 287.5 K; T2↑ = 291–310 K) ↔ P4/mnc (G2) (T1↓ = 358.5 K; T1↑ = 360 K) ↔ 4/m (G1). The twin structures observed were described assuming the existence of cubic parent phase G0 with P m 3 ¯ m symmetry.

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Держатели документа:
RAS, LV Kirensky Phys Inst, Siberian Dept, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
Russian Acad Sci, Inst Chem, Far Eastern Dept, Vladivostok 690022, Russia

Доп.точки доступа:
Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.; Russian Foundation for Basic Research [12-02-00056]; Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation [NSh-924.2014.2]
}
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    Low-temperature synthesis and structural properties of ferroelectric K 3WO3F3 elpasolite / V. V. Atuchin [et al.] // Chem. Phys. Lett. - 2010. - Vol. 493, Is. 1-3. - P. 83-86, DOI 10.1016/j.cplett.2010.05.023. - Cited References: 37 . - ISSN 0009-2614
Рубрики:
PEROVSKITE-LIKE OXYFLUORIDES
   CORE-LEVEL SPECTROSCOPY
   PHASE-TRANSITIONS
   SOLID-STATE
   ELECTRON-DIFFRACTION
   DIFFUSE-SCATTERING
   RHEED ANALYSIS
   POLAR
   BEHAVIOR
   (NH4)(3)TIOF5
Кл.слова (ненормированные):
Chemical synthesis -- Elpasolite -- Ferroelectric phase transition -- Fluorine atoms -- Low temperature synthesis -- Low temperatures -- Oxyfluorides -- Partial ordering -- Room temperature -- SEM -- Space Groups -- Structure parameter -- XRD -- Chemical properties -- Ferroelectric materials -- Ferroelectricity -- Fluorine -- Oxygen -- Phase transitions -- Rietveld method -- Single crystals -- Synthesis (chemical) -- X ray photoelectron spectroscopy -- X ray powder diffraction -- Scanning electron microscopy
Аннотация: Low-temperature ferroelectric G2 polymorph of K3WO 3F3 has been prepared by chemical synthesis. Structural and chemical properties of the final product have been evaluated with X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Structure parameters of G2-K 3WO3F3 are refined by the Rietveld method from XRD data measured at room temperature (space group Cm, Z = 2, a = 8.7350(3), b = 8.6808(5), c = 6.1581(3), ? = 135.124(3), V = 329.46(3) 3; RB = 2.47%). Partial ordering of oxygen and fluorine atoms has been found over anion positions. Mechanism of ferroelectric phase transition in A2BMO3F3 oxyfluorides is discussed. В© 2010 Elsevier B.V. All rights reserved.

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Держатели документа:
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russian Federation
Laboratory of Nanolithography and Nanodiagnostics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russian Federation
Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russian Federation
Laboratory of Crystal Physics, Institute of Physics, SB RAS, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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    Phase transitions in fluoride KFe2F6 with tetragonal tungsten bronze structure / M. V. Gorev [et al.] // J. Fluor. Chem. - 2014. - Vol. 168. - P. 204-211, DOI 10.1016/j.jfluchem.2014.09.031. - Cited References: 14. - This work was supported by RFBR, project no. 12-02-00056, and the Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (grant NSh-924.2014.2). . - ISSN 0022-1139. - ISSN 1873-3328
   Перевод заглавия: Фазовые переходы во фториде KFe2F6 со структурой тетрагональной вольфрамовой бронзы

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
K3FE5F15
490-K
ORDER
Кл.слова (ненормированные):
Tetragonal tungsten bronze structure -- Phase transition -- Charge ordering -- Thermal properties
Аннотация: Heat capacity, thermal dilatation, structure, Mossbauer spectra and dielectric permittivity of fluoride KFe2F6 with tetragonal tungsten bronze crystal structure were studied. The as-made sample undergoes two structural phase transitions P4/mbm (T-1 approximate to 340 K) -> Pbam (T-2 approximate to 250 K) -> G(2) and magnetic phase transformation at T-m approximate to 133 K. Heating up to 600-700 K and subsequent cooling in helium atmosphere leads to a change of phase transition temperatures and diffused anomalies in thermal expansion. The results obtained and influence of thermal prehistory of the sample on its physical properties are discussed in the context of previous studies on related fluorides KFe2F6, which sometimes suggest conflicting structural details. (C) 2014 Elsevier B.V. All rights reserved.

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Держатели документа:
RAS, Siberian Dept, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
CNRS, Inst Chim Matiere Condensee, F-33608 Pessac, France

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич; Tressaud, A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Bayukov, O. A.; Баюков, Олег Артемьевич; RFBR [12-02-00056]; Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation [NSh-924.2014.2]
}
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Heat capacity, entropy, dielectric properties and T–p phase diagram of (NH4)3TiF7 / E. I. Pogoreltsev [et al.] // J. Fluor. Chem. - 2014. - Vol. 168. - P. 247-250, DOI 10.1016/j.jfluchem.2014.10.016. - Cited References: 16. - This work was supported by the Russian Foundation for Basic Research (Grant no. 15-02-02009), and the Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (Grant no. NSh-924.2014.2). . - ISSN 0022-1139. - ISSN 1873-3328

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
CRYSTAL-STRUCTURE
   TRANSITIONS
   FLUORIDES
   NH4F
Кл.слова (ненормированные):
Cubic fluorides -- Phase transitions -- Dielectric -- Phase diagram -- Calorimetry
Аннотация: Successive phase transitions G1 --> G2 --> G3 in the double salt (NH4)(3)TiF7 have been studied by detailed calorimetric, DTA under hydrostatic pressure and dielectric measurements. Rather large entropy jumps at phase transition points were found to be followed by large additional contributions associated with the temperature dependence of the excess heat capacity. The permittivity behaviour and the tangent of the dielectric losses proved the nonferroelectric nature of both transformations. Two triple-points were found on the temperature-pressure phase diagram, suggesting the existence of a hypothetical parent G0 = Pm-3m cubic phase. A direct transformation between high (G0) and low (G3) temperature cubic phases takes place at p > 0.41 GPa with a baric coefficient dT(G0) --> (G3)/dp = -40 K/GPa. (C) 2014 Elsevier B.V. All rights reserved.

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Держатели документа:
RAS, Siberian Dept, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
Krasnoyarsk State Agr Univ, Krasnoyarsk 660049, Russia
Russian Acad Sci, Far Eastern Dept, Inst Chem, Vladivostok 690022, Russia

Доп.точки доступа:
Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Flerov, I. N.; Флёров, Игорь Николаевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Laptash, N. M.; Russian Foundation for Basic Research [15-02-02009]; Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation [NSh-924.2014.2]
}
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10.

    Structural transformation between two cubic phases of (NH4)3SnF7 / I. N. Flerov [et al.] // J. Fluor. Chem. - 2015. - Vol. 178. - P. 86-92, DOI 10.1016/j.jfluchem.2015.06.024. - Cited References: 19. - We thank T.A. Kaidalova for the idea of doubling the unit cell parameter of (NH4)3SnF7 at room temperature. The reported study was partially supported by RFBR, research project No. 15-02-02009 a. . - ISSN 0022-1139
   Перевод заглавия: Структурный переход между двумя кубическими фазами в (NH4)3SnF7

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
CRYSTAL-STRUCTURE
TRANSITION
NH4F
Кл.слова (ненормированные):
Cubic fluorides -- Phase transitions -- X-ray -- Calorimetry -- Crystal optics
Аннотация: Reinvestigations of the room temperature structure of ammonium heptafluorostannate (NH4)3SnF7 = (NH4)2SnF6·NH4F = (NH4)3[SnF6]F by both powder and single crystal X-ray diffractions have revealed that its real symmetry is Pa−3 (Z = 8) instead of Pm−3m (Z = 1) suggested earlier. Polarizing optical observations, heat capacity, X-ray powder, and single crystal measurements were performed in a wide temperature range (100–420 K). A reversible structural phase transition of the first order between two cubic modifications Pa−3 ↔ Pm−3m was found at about T0 = 360 K. The structural models associated with partially disordered and totally ordered high and low temperature phases, respectively, comply with a large value of phase transition entropy.

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Держатели документа:
L.V. Kirensky Institute of Physics, Siberian Branch of RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, Khabarovsk, Russian Federation
Institute of Chemistry, Far Eastern Branch of RAS, Vladivostok, Russian Federation

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Laptash, N. M.; Udovenko, A. A.; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Misyul, S. V.; Мисюль, Сергей Валентинович
}
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11.

Thermal, structural, optical, dielectric and barocaloric properties at ferroelastic phase transition in trigonal (NH4)2SnF6: A new look at the old compound / I. N. Flerov [et al.] // J. Fluor. Chem. - 2016. - Vol. 183. - P. 1-9, DOI 10.1016/j.jfluchem.2015.12.010. - Cited References: 25. - The reported study was partially supported by RFBR, research project No. 15-02-02009a. . - ISSN 0022-1139

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
Heat-capacity
   Ammonium
   (NH4)3TiF7
   Pressure
Кл.слова (ненормированные):
Fluorides -- Structural disorder -- Phase transitions -- Entropy -- Barocaloric effect
Аннотация: Structural phase transition P-3m1 → P-1 of the first order and nonferroelectric nature was found in (NH4)2SnF6 at about 110 K in the process of thermal, optical, dielectric and X-ray studies. Order-disorder transformation is accompanied by large changes of entropy (ΔS0 = 16.4 J/mol K) and volume (ΔV0/V ≈ 1%). The structural model associated with three orientations of NH4 tetrahedra in P-3m1 phase and their complete ordering in P-1 phase was suggested with the entropy change (ΔS0 = 18.3 J/mol K) close to the experimental value. A good agreement between baric coefficients measured in a direct way (dT0/dp = -157 K/GPa) and evaluated using entropy and volume changes at phase transition (-170 K/GPa) was found. Barocaloric effects in (NH4)2SnF6 are comparable with those of known solid state refrigerants and are characterised by a low-pressure need for realising their maximum values. © 2015 Elsevier B.V. All rights reserved.

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Держатели документа:
Kirensky Institute of Physics, Siberian Branch of RAS, Akademgorodok 50, Krasnoyarsk, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian State University, Krasnoyarsk, Russian Federation
Astafijev Krasnoyarsk State Pedagogical University, Krasnoyarsk, Russian Federation
Krasnoyarsk State Agrarian University, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, Khabarovsk, Russian Federation
Institute of Chemistry, Far Eastern Branch of RAS, Vladivostok, Russian Federation

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Gorev, M. V.; Горев, Михаил Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Molokeev, M. S.; Молокеев, Максим Сергеевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Laptash, N. M.
}
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12.

Effect of cation substitution in fluorine-oxygen molybdates (NH4)(2-x) A (x) MoO2F4 / E. V. Bogdanov [et al.] // Phys. Solid State. - 2011. - Vol. 53, Is. 2. - P. 303-308, DOI 10.1134/S1063783411020065. - Cited References: 11. - This study was supported by the Russian Foundation for Basic Research (project no. 09-02-00062) and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation (project no. NSh-1011.2008.2). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   CRYSTALS
   (NH4)(2)WO2F4
   DIFFRACTION
   OXYFLUORIDE
   MECHANISM
   DISORDER
Аннотация: Thermophysical and structural studies of (NH4)(2 - x) A (x) MoO2F4 (A = Cs, Rb, K) solid solutions of oxyfluorides have been performed. The character of the influence of cation substitutions on the stability of the initial phase (space group Cmcm) and on the mechanism of phase transitions has been elucidated.

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Держатели документа:
[Bogdanov, E. V.
Vasil'ev, A. D.
Flerov, I. N.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Vasil'ev, A. D.
Flerov, I. N.] Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660074, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Far Eastern Branch, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, ul. Kirenskogo 28, Krasnoyarsk 660074, Russian Federation
Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok 690022, Russian Federation

Доп.точки доступа:
Bogdanov, E. V.; Богданов, Евгений Витальевич; Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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13.

Mechanism of fluorine ion diffusion in tysonite-type solid electrolytes / M. G. Izosimova [et al.] // Fiz. Tverd. Tela. - 1986. - Vol. 28, Is. 9. - P. 2644-2647. - Cited References: 20 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

WOS
Доп.точки доступа:
Izosimova, M. G.; Livshits, A. I.; Buznik, V. M.; Fedorov, P. P.; Kkrivandina, E. A.; Sobolev, B. P.
}
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14.

    (NH4)3HfF7: Crystallooptical and calorimetric studies of a number of successive phase transitions / E. Pogoreltsev [et al.] // J. Fluor. Chem. - 2017. - Vol. 204. - P. 45-49, DOI 10.1016/j.jfluchem.2017.10.004. - Cited References: 14 . - ISSN 0022-1139
   Перевод заглавия: (NH4)3HfF7: Кристаллооптические и калориметрические исследования ряда последовательных фазовых переходов
Аннотация: Single crystals of (NH4)3HfF7 were grown. Polarising optical observations as well as measurement of the heat capacity and birefringence Δn(Т) were performed in the temperature range of 200–310 K. Reversible phase transitions at temperatures T0 = 290 K, Т1 = 280.5 K, Т2 ≈ 273 K, Т3 = 266 K, Т4 = 259 K, Т5 = 231 K, Т6 = 229 K were found. Observations in polarised light make it possible to suggest a sequence of changes in the symmetry groups for these transitions: Fm3m ⟵Т0→ cub. ⟵Т1→ mmm (1) ⟵Т2→ mmm (2) ⟵Т3→ mmm (3) ⟵Т5→ 2/c. The T-p phase diagram was studied and the temperature boundaries of the stability of the distorted crystalline phases were determined. A significant change of the entropy at successive phase transitions ΣΔS = 10.6 J/mol K indicates a disordering of the initial cubic phase.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, Russian Federation
Institute of Engineering Systems and Energy, Krasnoyarsk State Agrarian University, Krasnoyarsk, Russian Federation
Institute of Chemistry, Far Eastern Department of RAS, Vladivostok, Russian Federation

Доп.точки доступа:
Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Melnikova, S.V.; Мельникова, Светлана Владимировна; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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15.

Electro-optical and dielectric properties of polymer-stabilized blue phase liquid crystal impregnated with a fluorine-containing compound / P. C. Wu [et al.] // J. Mol. Liq. - 2018. - Vol. 267. - P. 138-143, DOI 10.1016/j.molliq.2017.12.062. - Cited References: 47. - The authors are indebted to Prof. Mon-Juan Lee of Chang-Jung Christian University for valuable discussions on photopolymerization. This work was financially supported by the Ministry of Science and Technology, Taiwan, through Grant Nos. 104-2112-M-009-008-MY3 and 106-2923-M-009-002-MY3, and by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research projects 16-42-240704 and 17-42-240464. . - ISSN 0167-7322. - ISSN 1873-3166

РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
HYSTERESIS
TEMPERATURE
MONOMERS
Кл.слова (ненормированные):
Polymer-stabilized blue phase -- Liquid crystal -- Fluorine-containing -- compound -- Operating voltage -- Ionic effect
Аннотация: The effects of a fluorine-containing compound (4,4′-difluorobenzophenone; DF) on the electro-optical and dielectric properties of polymer-stabilized blue phase (PSBP) liquid crystals were investigated. When a PSBP cell was driven by an in-plane electric field, the addition of DF up to 2.7 wt% effectively reduced the operation voltage by ~ 30%. Further inspection by dielectric spectroscopy indicated that the ionic concentration in PSBP decreased with increasing loading of DF. This finding can be ascribed to the complexation of impurity ions near the ketone group and carbon–fluorine bonds of the DF compound that restrained the ion transport after photopolymerization. As a result, the DF compound can be regarded as a superior ion-suppressor, enabling the reduction in the ionic effect and, in turn, the promotion of the electro-optical response of a PSBP.

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Natl Chiao Tung Univ, Coll Photon, Inst Imaging & Biomed Photon, Tainan 71150, Taiwan.
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Lab Nonlinear Opt & Spect, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Wu, Po-Chang; Chen, Hsin-Li; Rudakova, Natalya V.; Timofeev, I. V.; Тимофеев, Иван Владимирович; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Lee, Wei; Ministry of Science and Technology, Taiwan [104-2112-M-009-008-MY3, 106-2923-M-009-002-MY3]; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund [16-42-240704, 17-42-240464]
}
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16.

Optical and calorimetric studies of K2TaF7 / S. V. Mel'nikova [et al.] // J. Fluor. Chem. - 2019. - Vol. 222-223. - P. 75-80, DOI 10.1016/j.jfluchem.2019.04.016. - Cited References: 26. - The reported study was funded by RFBR according to the research project № 18-02-00269. . - ISSN 0022-1139
Кл.слова (ненормированные):
Phase transition -- Ferroelasticity -- Optical properties -- Photoelasticity -- Heat capacity -- Entropy
Аннотация: Optical and calorimetric experiments on K2TaF7 are performed in a wide temperature range. No features were found in the behavior of the birefringence Δnb(T), the angle of rotation of the indicatrix ϕ(T) and the heat capacity ΔCp(T) except for those associated with the Pnma↔P21/c phase transition. Structural transformation was characterized as strong first order “proper” ferroelastic accompanied by a huge angle ϕ ≈40° and strong pre-transition phenomena in Δnb(T). Two contributions to the anomalies of the optical properties were found associated with the photoelastic effect and the transition parameter related linearly to the spontaneous deformation. Thermal treatments cause correlated changes in temperature and enthalpy of the phase transition, which leads to the invariance of the large magnitude of the corresponding entropy ΔS = 22 J/mol·K which does not match the model with the absence of structural disorder in the Pnma phase.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Systems and Energy, Krasnoyarsk State Agrarian University, Krasnoyarsk, 660049, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, 660074, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Institute of Chemistry, Far Eastern Department of RAS, Vladivostok, 690022, Russian Federation

Доп.точки доступа:
Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Bogdanov, E. V.; Богданов, Евгений Витальевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Laptash, N. M.; Flerov, I. N.; Флёров, Игорь Николаевич
}
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17.

Heat capacity, thermal expansion and barocaloric effect in fluoride K2TaF7 / I. N. Flerov [et al.] // J. Mater. Sci. - 2019. - Vol. 54, Is. 23. - P. 14287–14295, DOI 10.1007/s10853-019-03924-8. - Cited References: 20. - The reported study was funded by RFBR according to the research Project No. 18-02-00269_a. . - ISSN 0022-2461
Кл.слова (ненормированные):
Expansion -- Fluorine compounds -- Specific heat -- Tantalum compounds -- Thermal expansion -- Barocaloric effects -- First-order phase transitions -- High sensitivity -- Low pressures -- Temperature phase -- Volume strain -- Potassium compounds
Аннотация: The heat capacity and thermal expansion of potassium heptafluorotantalate were studied. The room temperature phase P21/c is stable at least to 4 K. The strong first-order phase transition P21/c−Pnma at T0=486.2K is accompanied by giant changes in the entropy, ΔS0=22.3J(molK)−1, and volume strain, δV0/V=−3.6%. A rather high sensitivity of K2TaF7 to pressure was found, dT0/dp=−220KGPa−1. Significant extensive and intensive barocaloric effects are found at low pressure. The possibility of improving the barocaloric properties is discussed.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, 660074, Russian Federation
Astafijev Krasnoyarsk State Pedagogical University, Krasnoyarsk, 660049, Russian Federation
Institute of Chemistry, Far East Branch, Russian Academy of Sciences, Vladivostok, 690022, Russian Federation

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Pogorel'tsev, E. I.; Погорельцев, Евгений Ильич; Laptash, N. M.
}
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18.

Calorimetric, dilatometric and DTA under pressure studies of the phase transitions in elpasolite (NH4)2KZrF7 / M. V. Gorev, A. V. Kartashev, E. V. Bogdanov [et al.] // J. Fluor. Chem. - 2020. - Vol. 235. - Ст. 109523, DOI 10.1016/j.jfluchem.2020.109523. - Cited References: 45. - The reported study was funded by RFBR according to the research project No. 18-02-00269 a. X-ray and dilatometric data were obtained using the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS" . - ISSN 0022-1139
Кл.слова (ненормированные):
Phase transition -- Fluorides -- Heat capacity -- Entropy -- Thermal expansion -- High pressure
Аннотация: Heat capacity, thermal expansion, and sensitivity to the hydrostatic pressure of (NH4)2KZrF7 elpasolite are studied in a wide temperature range. The changes in deformation and entropy during successive phase transitions are determined: Δ(ΔV/V) = 3·10−4; ΔS = 8 J/mol K The temperatures and entropies of phase transitions turned out to be slightly sensitive to pressure changes. An analysis of the entropy of phase transformations was performed in the framework of the model of the cubic phase structure Fm-3 m. In the low temperature phase, an anomalous behavior of thermodynamic properties, which is not characteristic of phase transitions, was observed, accompanied by a significant change in the crystal lattice entropy.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, 660074, Russian Federation
Astafijev Krasnoyarsk State Pedagogical University, Krasnoyarsk, 660049, Russian Federation
Institute of Engineering Systems and Energy, Krasnoyarsk State Agrarian University, Krasnoyarsk, 660049, Russian Federation
Institute of Chemistry, Far Eastern Department of RAS, Vladivostok, 690022, Russian Federation

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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19.

    The structure of the metastable K18Ta5Zr5F63 phase / M. Boca, M. Molokeev, A. Rakhmatullin [et al.] // New J. Chem. - 2020. - Vol. 44, Is. 22. - P. 9264-9270, DOI 10.1039/d0nj02428g. - Cited References: 30. - Financial support from TGIR-RMN-THC Fr3050 CNRS for conducting the research is gratefully acknowledged. This work was supported by the Slovak Research and Development Agency under the contract no. APVV-15-0479. This work was financially supported by the Scientific Grant Agency of the Ministry of Education of the Slovak Republic and the Slovak Academy of Sciences, grant no. Vega 2/0024/20 . - ISSN 1144-0546
   Перевод заглавия: Струкрута метастабильной фазы K18Ta5Zr5F63
Кл.слова (ненормированные):
Fluorine compounds -- Geometry -- Nuclear magnetic resonance spectroscopy -- Prisms
Аннотация: A metastable phase K18Ta5Zr5F63 was prepared by molten salt synthesis of K2TaF7 and K2ZrF6 in a sealed Pt crucible. This is the first example of a structure of a fluoride complex compound containing both tantalum and zirconium as central atoms. The asymmetric part of the unit cell contains two Ta/Zr sites and one pure Zr site. The Ta1/Zr1 ion is coordinated by seven F ions forming one capped trigonal prism. The Ta2/Zr2 ion is coordinated by six F ions forming a trigonal prism, and this polyhedron is fully ordered. The Zr3 ion is coordinated by six F ions, which are disordered over two positions. All (Zr/Ta)Fn (n = 6–8) polyhedra are isolated from each other, although the ZrF6 units have shared faces, forming an infinite channel along the c-axis. 19F MAS NMR experiments agree with the proposed structural model, identifying all five central non-equivalent polyhedra. The K18Ta5Zr5F63 phase decomposes within several months to its initial components; this can be monitored by NMR, DSC and XRD experiments. Moreover, accelerated decomposition can be achieved by thermal treatment, resulting in the formation of a K3ZrF7 phase.

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Держатели документа:
Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, Bratislava, SK-845 36, Slovakia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50 bld. 38, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Conditions Extremes et Materiaux, Haute Temperature et Irradiation, 1D avenue de la Recherche Scientifique CS 90055, Orleans Cedex 2, 45071, France

Доп.точки доступа:
Boca, M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Rakhmatullin, A.; Kubikova, B.; Netriova, Z.
}
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20.

    Investigation of thermal properties and structure of complex fluoride K3ZrF7 / M. V. Gorev, M. S. Molokeev, A. V. Kartashev [et al.] // J. Fluor. Chem. - 2021. - Vol. 241. - Ст. 109677, DOI 10.1016/j.jfluchem.2020.109677. - Cited References: 44. - The reported study was funded by RFBR according to the research project No. 18-02-00269 a. X-ray and dilatometric data were obtained using the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS" . - ISSN 0022-1139
   Перевод заглавия: Исследование теплофизических свойств и структуры комплексного фторида K3ZrF7
Кл.слова (ненормированные):
Phase transition -- Fluorides -- Structure -- Heat capacity -- Entropy -- Thermal expansion
Аннотация: X-ray, calorimetric and dilatometric studies of K3ZrF7 revealed the existence of the phase transition Fm-3m ↔ R-3m at T0 = 320 K. The structural model assumes a disorder of a pentagonal bipyramid ZrF7 with the following ratio of equivalent orientation positions in the initial and distorted phases: 12 to 6. A good agreement was found between the experimental and model-calculated changes in strain and entropy during the phase transition. A comparative analysis of entropy and structural parameters of related fluorides K3ZrF7 - (NH4)2KZrF7 - (NH4)3ZrF7 was performed. The anomalous behavior of thermodynamic properties in the range 140−230 K is not typical for phase transitions and is accompanied by a significant change in the entropy of the crystal lattice.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660074, Russian Federation
Institute of Chemistry, Far Eastern Department of RAS, Vladivostok, 690022, Russian Federation

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Laptash, N. M.; Flerov, I. N.; Флёров, Игорь Николаевич
}
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