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Multicomponent flux growth and composition control of Cu2MnBO5:Ga ludwigites / E. Moshkina, A. Krylov, D. Kokh [et al.] // CrystEngComm. - 2022. - Vol. 24, Is. 19. - P. 3565-3575, DOI 10.1039/d2ce00258b. - Cited References: 26. - This study was supported by the Russian Science Foundation (Grant No. 21-72-00130). The Raman, X-ray, and EDX data were obtained using the analytical equipment of the Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center “Krasnoyarsk Science Center SB RAS” . - ISSN 1466-8033
Кл.слова (ненормированные):
Bismuth compounds -- Boron compounds -- Copper compounds -- Crystal symmetry -- Energy dispersive spectroscopy -- Gallium -- Manganese oxide -- Positive ions -- Sodium compounds
Аннотация: To reach the concentration phase boundary between antiferromagnetic Cu2GaBO5 and ferrimagnetic Cu2MnBO5 ludwigites, solid solutions Cu2Mn1−xGaxBO5 (x = 0.05, 0.1, 0.15, 0.175) were grown by the flux technique using a multi-component solvent based on Bi2Mo3O12 with the addition of Na2B4O7 which significantly influenced the crystal formation and cation composition of the studied compounds. The content of the flux system was corrected taking into account the earlier established relationship of the partition coefficients of Mn2O3 and Ga2O3. The influence of the solvent components on the ludwigite crystallization was analyzed. The maximum size of the grown crystal was 1 × 1 × 4 mm3. The structure and cation composition of the grown compounds were studied using X-ray (X-ray diffraction, EDX (energy-dispersive X-ray spectroscopy)) and vibrational (Raman) spectroscopy techniques. The phase boundary of Cu2MnBO5–Cu2GaBO5 was found to be in the concentration range of x = 0.15–0.175, corresponding to a change in the monoclinic axis direction and a leap in the lattice parameters. The symmetry evolution of metal–oxygen octahedra for four nonequivalent cation positions was analyzed, and the unique crystal structure of Cu2MnBO5 demonstrated high rigidity relative to the introduction of Ga3+ cations. The polarized Raman spectra of monoclinic ludwigites were obtained and studied for the first time. A comparison of the spectra of the studied samples in both phases and orthorhombic ludwigites was made. A number of spectral features due to the monoclinic distortions in the crystal were found. In agreement with the Raman experiment, the concentration phase boundary was close to 0.15.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian State University of Science and Technologies, Krasnoyarsk, 660037, Russian Federation
Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
St Petersburg University, St Petersburg, 199034, Russian Federation

Доп.точки доступа:
Moshkina, E. M.; Мошкина, Евгения Михайловна; Krylov, A. S.; Крылов, Александр Сергеевич; Kokh, D.; Shabanova, K.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bovina, A. F.; Бовина, Ася Федоровна; Plyaskin, M.; Пляскин, Михаил Е.; Rostovtsev, N.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич
}
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    Destruction of long-range magnetic order in an external magnetic field and the associated spin dynamics in Cu2GaBO5 and Cu2AlBO5 ludwigites / A. A. Kulbakov, R. Sarkar, O. Janson [et al.] // Phys. Rev. B. - 2021. - Vol. 103, Is. 2. - Ст. 024447, DOI 10.1103/PhysRevB.103.024447. - Cited References: 46. - We thank U. Nitzsche for technical assistance. This project was funded in part by the German Research Foundation (DFG) under Grant IN 209/9-1, via Project C03 of the Collaborative Research Center SFB 1143 (project-id 247310070) at the TU Dresden, and the Würzburg-Dresden Cluster of Excellence on Complexity and Topology in Quantum Matter—ct.qmat (EXC 2147, project-id 390858490). O.J. was supported by the Leibniz Association through the Leibniz Competition . - ISSN 2469-9950
   Перевод заглавия: Разрушение дальнего магнитного порядка во внешнем магнитном поле и связанная с ним спиновая динамика в людвигитах Cu2GaBO5 и Cu2AlBO5
Кл.слова (ненормированные):
Aluminum compounds -- Antiferromagnetic materials -- Antiferromagnetism -- Band structure -- Copper compounds -- Crystal structure -- Density functional theory -- Gallium compounds -- Magnetic fields -- Neutron diffraction -- Neutron scattering -- Spin fluctuations -- Spin glass -- Temperature -- Antiferromagnetic exchange -- Antiferromagnetic orderings -- Brillouin zone boundary -- External magnetic field -- Long range magnetic order -- Long-range-ordered state -- Quantum spin systems -- Two-dimensional spin model -- Boron compounds
Аннотация: The quantum spin systems Cu2M′BO5 (M′=Al,Ga) with the ludwigite crystal structure consist of a structurally ordered Cu2+ sublattice in the form of three-leg ladders, interpenetrated by a structurally disordered sublattice with a statistically random site occupation by magnetic Cu2+ and nonmagnetic Ga3+ or Al3+ ions. A microscopic analysis based on density-functional-theory calculations for Cu2GaBO5 reveals a frustrated quasi-two-dimensional spin model featuring five inequivalent antiferromagnetic exchanges. A broad low-temperature 11B nuclear magnetic resonance points to a considerable spin disorder in the system. In zero magnetic field, antiferromagnetic order sets in below TN≈4.1 K and ∼2.4 K for the Ga and Al compounds, respectively. From neutron diffraction, we find that the magnetic propagation vector in Cu2GaBO5 is commensurate and lies on the Brillouin-zone boundary in the (H0L) plane, qm=(0.45,0,−0.7), corresponding to a complex noncollinear long-range ordered structure with a large magnetic unit cell. Muon spin relaxation is monotonic, consisting of a fast static component typical for complex noncollinear spin systems and a slow dynamic component originating from the relaxation on low-energy spin fluctuations. Gapless spin dynamics in the form of a diffuse quasielastic peak is also evidenced by inelastic neutron scattering. Most remarkably, application of a magnetic field above 1 T destroys the static long-range order, which is manifested in the gradual broadening of the magnetic Bragg peaks. We argue that such a crossover from a magnetically long-range ordered state to a spin-glass regime may result from orphan spins on the structurally disordered magnetic sublattice, which are polarized in magnetic field and thus act as a tuning knob for field-controlled magnetic disorder.

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Держатели документа:
Institut fur Festkorper- und Materialphysik, Technische Universitat Dresden, Dresden, 01069, Germany
Wurzburg-Dresden Cluster of Excellence on Complexity and Topology in Quantum Matter - Ct.qmat, TU Dresden, Dresden, 01069, Germany
Institute for Theoretical Solid State Physics, IFW Dresden, Dresden, 01069, Germany
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50, Krasnoyarsk, 660036, Russian Federation
Laboratory for Muon Spin Spectroscopy, Paul Scherrer Institute, Villigen PSI, CH-5232, Switzerland
Institute for Quantum Phenomena in Novel Materials, Helmholtz-Zentrum Berlin fur Materialen und Energie GmbH, Hahn-Meitner-Platz 1, Berlin, 14109, Germany
Max Planck Institute for Chemical Physics of Solids, Nothnitzer Str. 40, Dresden, 01187, Germany
Zavoisky Physical-Technical Institute, FRC Kazan Scientific Center of RAS, Sibirsky tract 10/7, Kazan, 420029, Russian Federation
Fakultat Chemie und Lebensmittelchemie, Technische Universitat Dresden, Dresden, 01069, Germany
Julich Center for Neutron Science at MLZ, Forschungszentrum Julich GmbH, Lichtenbergstra?e 1, Garching, 85748, Germany

Доп.точки доступа:
Kulbakov, A. A.; Sarkar, R.; Janson, O.; Dengre, S.; Weinhold, T.; Moshkina, E. M.; Мошкина, Евгения Михайловна; Portnichenko, P. Y.; Luetkens, H.; Yokaichiya, F.; Sukhanov, A. S.; Eremina, R. M.; Schlender, P.; Schneidewind, A.; Klauss, H. -H.; Inosov, D. S.
}
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Non-chemical fluorination of hexagonal boron nitride by high-energy ion irradiation / S. Entani [et al.] // Nanotechnology. - 2020. - Vol. 31, Is. 12. - Ст. 125705, DOI 10.1088/1361-6528/ab5bcc. - Cited References: 53 . - ISSN 0957-4484. - ISSN 1361-6528
Кл.слова (ненормированные):
Hexagonal boron nitride -- heteroatom doping -- high-energy ion irradiation -- near edge X-ray absorption fine structure -- ab initio calculation
Аннотация: Two-dimensional materials such as hexagonal boron nitride (h-BN) and graphene have attracted wide attention in nanoelectronics and spintronics. Since their electronic characteristics are strongly affected by the local atomic structure, the heteroatom doping could allows us to tailor the electronic and physical properties of two-dimensional materials. In this study, a non-chemical method of heteroatom doping into h-BN under high-energy ion irradiation was demonstrated for the LiF/h-BN/Cu heterostructure. Spectroscopic analysis of chemical states on the relevant atoms revealed that 6 ± 2% fluorinated h-BN are obtained by the irradiation of 2.4 MeV Cu2+ ions with the fluence up to 1014 ions/cm2. It was shown that the high-energy ion irradiation leads to a single-sided fluorination of h-BN by the formation of the fluorinated sp 3-hybridized BN.

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Держатели документа:
National Institutes for Quantum and Radiological Science and Technology Takasaki Advanced Radiation Research Institute, Takasaki, 370-1292, JAPAN
National University of Science and Technology MISiS, Moscow, RUSSIAN FEDERATION
Kirensky Institute of Physics, Krasnoyarsk, RUSSIAN FEDERATION
Ritsumeikan University College of Science and Engineering Graduate School of Science and Engineering, Kusatsu, Shiga, JAPAN
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Sendai, JAPAN
Research Institute for Applied Mechanics, Kyushu University, Kasuga, JAPAN
National Institutes for Quantum and Radiological Science and Technology Takasaki Advanced Radiation Research Institute, Takasaki, JAPAN
Inorganic Nanomaterials lab, Nacional'nyj issledovatel'skij tehnologiceskij universitet MISiS, Moscow, Moscow, RUSSIAN FEDERATION

Доп.точки доступа:
Entani, Shiro; Larionov, K. V.; Ларионов, Константин В.; Popov, Z. I.; Попов, Захар Иванович; Takizawa, Masaru; Mizuguchi, Masaki; Watanabe, Hideo; Li, Songtian; Naramoto, Hiroshi; Sorokin, Pavel B.; Sakai, Seiji
}
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    Pressure-Induced Structural Transition to the Polar Phase in GdFe3(BO3)4 / I. S. Lyubutin [et al.] // Cryst. Growth Des. - 2019. - Vol. 19, Is. 12. - P. 6935-6944, DOI 10.1021/acs.cgd.9b00609. - Cited References: 39. - The authors express their deep gratitude to Prof. S. G. Ovchinnikov for initiating this work and fruitful discussions. These studies were performed with the support of the Ministry of Science and Higher Education within the State assignment FSRC "Crystallography and Photonics" RAS in part for the synchrotron Mössbauer measurements. Support from RFBR Grant No. 17-02-00766 in part for the Raman spectroscopy measurements and from No. 18-02-00696 in part for the theoretical calculations is also acknowledged. For preparation and tests of high-pressure cells, (39) the facilities of Center for Collective Use “Accelerator Center for Neutron Research of the Structure of Substance and Nuclear Medicine” of the INR RAS were used. . - ISSN 1528-7483
   Перевод заглавия: Индуцированный давлением структурный переход в полярную фазу в GdFe3(BO3)4
Кл.слова (ненормированные):
Boron -- Crystal lattices -- Ferroelectricity -- Ions -- Iron compounds
Аннотация: The GdFe3(BO3)4 crystal has attracted great interest as a magnetic-field-induced multiferroic. In this paper, we show that the multiferroic properties in this crystal can be induced by high pressure. At high pressures up to 50 GPa, created in diamond anvil cells, the structural and vibrational (phonon) properties of the GdFe3(BO3)4 crystal were studied. The structural phase transition was detected at about 23–25 GPa by Raman and synchrotron Mössbauer (NFS) spectroscopy. First-principle calculations of the crystal lattice dynamics at pressures below and above the structural transition were carried out. It was established that at pressures above the structural transition, the space group R32 of GdFe3(BO3)4 is changed to the polar space group R3, and the crystal becomes a ferroelectric. At the R32 → R3 transition, the displacement of the boron ion B(2) and oxygen O results in the formation of boron–oxygen B(2)O4 tetrahedrons instead of the plane BO3 triangles. Meanwhile, the triangle oxygen environment of boron in the site B(1) remains unchanged. The nearest environment of the gadolinium ion also changes significantly. Instead of six oxygen ions in the R32 phase, the nearest surroundings of Gd in the R3 phase consist of nine oxygen ions forming a complex polyhedron. A large hysteresis of the transition indicates that this crystal remains a ferroelectric with a decrease in pressure to about ambient pressure.

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Держатели документа:
Shubnikov Institute of Crystallography of FSRC Crystallography and Photonics RAS, Moscow, 119333, Russian Federation
Institute for Nuclear Research, Russian Academy of Sciences, Troitsk, Moscow, 108840, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
REC Functional Nanomaterials, Immanuel Kant Baltic Federal University, Kaliningrad, 236041, Russian Federation

Доп.точки доступа:
Lyubutin, I. S.; Gavriliuk, A. G.; Andryushin, N. D.; Андрюшин, Никита Дмитриевич; Pavlovskiy, M. S.; Павловский, Максим Сергеевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Lyubutina, M. V.; Troyan, I. A.; Smirnova, E. S.
}
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Crystal formation of Cu-Mn-containing oxides and oxyborates in bismuth-boron fluxes diluted by MoO3 and Na2CO3 / E. Moshkina [et al.] // J. Cryst. Growth. - 2018. - Vol. 503. - P. 1-8, DOI 10.1016/j.jcrysgro.2018.09.011. - Cited References: 26. - This study was supported by Russian Foundation for Basic Research (RFBR) according to the research project No. 17-02-00953 A. . - ISSN 0022-0248
Кл.слова (ненормированные):
Characterization -- Growth from solutions -- Single crystal growth -- Manganites -- Magnetic materials
Аннотация: The high-temperature crystallizing phases of fluxes (molten solutions) based on Bi2O3:MoO3 = 1:3 and diluted by Na2CO3 and B2O3 (under varying of Na2CO3:B2O3), and by CuO and Mn2O3 (0 ≤ Mn2O3:CuO ≤ 5) are studied. The conditions of the stable crystallization of Mn2+1−xCuxMoO4, Mn23+O3, Mn2+Mn23+O4, Mn2+1−xCuxMn3+BO4 and Mn2+2−xCuxMn3+BO5 have been found. The influence of MoO3 and Na2CO3 to the crystallization processes of Mn2+- and Mn3+-containing Mn2+1−xCuxMoO4 and Mn2+Mn23+O4 and Mn23+O3 are clarified. The occurrence of the chemical bonds of these types at the crystallization of Mn-heterovalent Mn2+1−xCuxMn3+BO4 and Mn2+2−xCuxMn3+BO5 oxyborates is studied. Single crystal growth techniques of these oxyborates are suggested. The results of the structural and magnetic characterization of some discussed compounds are presented.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian State University of Science and Technologies, Krasnoyarsk, 660037, Russian Federation
V.S. Sobolev Institute of Geology and Mineralogy, SB RAS, Novosibirsk, 630090, Russian Federation
Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation

Доп.точки доступа:
Moshkina, E. M.; Мошкина, Евгения Михайловна; Seryotkin, Y.; Bovina, A. F.; Бовина, Ася Федоровна; Molokeev, M. S.; Молокеев, Максим Сергеевич; Eremin, E. V.; Еремин, Евгений Владимирович; Belskaya, N.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич
}
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Room temperature spin accumulation effect in boron doped Si created by epitaxial Fe3Si/p-Si Schottky contact / A. S. Tarasov [et al.] // J. Surf. Ingestig. - 2018. - Vol. 12, Is. 4. - P. 633-637, DOI 10.1134/S1027451018040171. - Cited References: 33. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research project nos. 16-42-243046, 16-42-242036 and 16-42-243060. . - ISSN 1027-4510. - ISSN 1819-7094

РУБ Physics, Condensed Matter
Рубрики:
HYBRID STRUCTURES
   CURRENT-VOLTAGE
   FILMS
   TRANSPORT
   SILICON
Кл.слова (ненормированные):
spintronics -- hybrid structures -- Schottky diode -- Hanle effect -- spin -- accumulation
Аннотация: To study spin-dependent transport phenomena in Fe3Si/p-Si structures we fabricated 3-terminal planar microdevices and metal/semiconductor diode using conventional photolithography and wet chemical etching. IaEuro'V curve of prepared diode demonstrates rectifying behavior, which indicates the presence of Schottky barrier in Fe3Si/p-Si interface. Calculated Schottky barrier height is 0.57 eV, which can provide necessary conditions for spin accumulation in p-Si. Indeed, in 3-terminal planar device with Fe3Si/p-Si Schottky contact Hanle effect was observed. By the analysis of Hanle curves spin lifetime spin diffusion length in p-Si were calculated, which are 145 ps and 405 nm, respectively (at T = 300 K). Spin lifetime strongly depends on temperature which can be related to the fact that spin-dependent transport in our device is realized via the surface states. This gives a perspective of creation of spintronic devices based on metal/semiconductor structure without need for forming tunnel or Schottky tunnel contact.

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Держатели документа:
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660041, Russia.
Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia.

Доп.точки доступа:
Tarasov, A. S.; Тарасов, Антон Сергеевич; Bondarev, I. A.; Бондарев, Илья Александрович; Rautskii, M. V.; Рауцкий, Михаил Владимирович; Lukyanenko, A. V.; Лукьяненко, Анна Витальевна; Tarasov, I. A.; Тарасов, Иван Анатольевич; Varnakov, S. N.; Варнаков, Сергей Николаевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Volkov, N. V.; Волков, Никита Валентинович; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund [16-42-243046, 16-42-242036, 16-42-243060]
}
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Two-dimensional hexagonal CrN with promising magnetic and optical properties: A theoretical prediction / A. V. Kuklin [et al.] // Nanoscale. - 2017. - Vol. 9, Is. 2. - P. 621-630, DOI 10.1039/c6nr07790k. - Cited References: 76. - We acknowledge the Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; the Institute of Computational Modeling of SB RAS, Krasnoyarsk; the Joint Supercomputer Center of RAS, Moscow; and the ICC of Novosibirsk State University for providing the computing resources. This work was supported by the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1500.2014/K). P. V. A. acknowledges the Kyungpook National University Research Fund, 2014. N. S. M. acknowledges the Russian Foundation for Basic Research (RFBR 16-32-60003 mol_a_dk). . - ISSN 2040-3364
Кл.слова (ненормированные):
Boron nitride -- Calculations -- Energy gap -- Ferromagnetic materials -- Ferromagnetism -- Graphene -- Magnetism -- Metals -- Transition metals -- Transparency -- Dielectric functions -- Ferromagnetic orderings -- First-principles calculation -- Half-metallic properties -- Magnetic and optical properties -- Optical transparency -- Spintronics application -- Transition metal dichalcogenides -- Optical properties
Аннотация: Half-metallic ferromagnetic materials with planar forms are promising for spintronics applications. A wide range of 2D lattices like graphene, h-BN, transition metal dichalcogenides, etc. are non-magnetic or weakly magnetic. Using first principles calculations, the existence of graphene-like hexagonal chromium nitride (h-CrN) with an almost flat atomically thin structure is predicted. We find that freestanding h-CrN has a 100% spin-polarized half-metallic nature with possible ferromagnetic ordering and a high rate of optical transparency. As a possible method for stabilization and synthesis, deposition of h-CrN on 2D MoSe2 or on MoS2 is proposed. The formation of composites retains the half-metallic properties and leads to the reduction of spin-down band gaps to 1.43 and 1.71 eV for energetically favorable h-CrN/MoSe2 and h-CrN/MoS2 configurations, respectively. Calculation of the dielectric functions of h-CrN, h-CrN/MoSe2 and h-CrN/MoS2 exhibit the high transparency of all three low-dimensional nanomaterials. The honeycomb CrN may be considered as a promising fundamental 2D material for a variety of potential applications of critical importance. © The Royal Society of Chemistry 2017.

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Держатели документа:
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
Department of Chemistry, Kyungpook National University, 80 Daehakro Bukgu, Daegu, South Korea
L.V. Kirensky Institute of Physics, 50/38 Akademgorodok, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Kuklin, A. V.; Куклин, Артем Валентинович; Kuzubov, A. A.; Кузубов, Александр Александрович; Kovaleva, E. A.; Mikhaleva, N. S.; Tomilin, F. N.; Томилин, Феликс Николаевич; Lee, H.; Avramov, P. V.
}
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Theoretical investigation of the interfaces and mechanisms of induced spin polarization of 1D narrow zigzag graphene- and h-BN nanoribbons on a SrO-terminated LSMO(001) surface / P. Avramov [et al.] // J. Phys. Chem. A. - 2017. - Vol. 121, Is. 3. - P. 680-689, DOI 10.1021/acs.jpca.6b09696. - Cited References:74. - We acknowledge the Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; the Joint Supercomputer Center of RAS, Moscow; and the ICC of Novosibirsk State University for providing the computing resources. P.B.S. acknowledges the financial support of the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST MISiS (No. K2-2015-033). The Russian Science Foundation (Grant No 14-13-00139) supported the work of the Russian team. The Japanese Science Foundation (JSPS KAKENHI, Grant No 16H3875) supported the work of the Japanese team. . - ISSN 1089-5639

РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
HEXAGONAL BORON-NITRIDE
AUGMENTED-WAVE METHOD
GIANT MAGNETORESISTANCE
Аннотация: The structure of the interfaces and the mechanisms of induced spin polarization of 1D infinite and finite narrow graphene- and h-BN zigzag nanoribbons placed on a SrO-terminated La1-xSrxMnO3 (LSMO) (001) surface were studied using density functional theory (DFT) electronic structure calculations. It was found that the pi-conjugated nanofragments are bonded to the LSMO(001) surface by weak disperse interactions. The types of coordination of the fragments, the strength of bonding, and the rate of spin polarization depend upon the nature of the fragments. Infinite and finite graphene narrow zigzag nanoribbons are characterized by the lift of the spin degeneracy and strong spin polarization caused by interface-induced structural asymmetry and oxygen-mediated indirect exchange interactions with Mn ions of LSMO support. Spin polarization changes the semiconducting nature of infinite graphene nanoribbons to half-metallic state with visible spin-up density of states at the Fermi level. The h-BN nanoribbon binding energy is weaker than graphene nanoribbon ones with noticeably shorter interlayer distance. The asymmetry effect and indirect exchange interactions cause spin polarization of h-BN nanoribbon as well with formation of embedded states inside the band gap. The results show a possibility to use one-atom thick nanofragments to design LSMO-based heterostructures for spintronic nanodevices with h-BN as an inert spacer to develop different potential barriers.

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Держатели документа:
Kyungpook Natl Univ, Dept Chem, 80 Daehak Ro, Daegu 41566, South Korea.
Kyungpook Natl Univ, Green Nano Mat Res Ctr, 80 Daehak Ro, Daegu 41566, South Korea.
Siberian Fed Univ, 79 Svobodniy Pr, Krasnoyarsk 660041, Russia.
LV Kirensky Inst Phys SB RAS, 50-38 Akademgorodok, Krasnoyarsk 660036, Russia.
Natl Inst Quantum & Radiol Sci & Technol QST, Naka, Ibaraki 3191106, Japan.
Natl Univ Sci & Technol MISiS, Moscow 119049, Russia.

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Кузубов, Александр Александрович; Kuklin, A. V.; Куклин, Артем Валентинович; Lee, H.; Kovaleva, E. A.; Ковалева, Евгения Андреевна; Sakai, S.; Entani, S.; Naramoto, H.; Sorokin, P. B.; Ministry of Education and Science of the Russian Federation [K2-2015-033]; Russian Science Foundation [14-13-00139]; Japanese Science Foundation (JSPS KAKENHI) [16H3875]
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The direct exchange mechanism of induced spin polarization of low-dimensional π-conjugated carbon- and h-BN fragments at LSMO(001) MnO-terminated interfaces / A. V. Kuklin [et al.] // J. Magn. Magn. Mater. - 2017. - Vol. 440: EURO-Asian Symposium on Trends in Magnetism (EASTMAG) (AUG 15-19, 2016, Siberian Fed Univ, Krasnoyarsk, RUSSIA). - P. 23-29, DOI 10.1016/j.jmmm.2016.12.096. - Cited References:70. - We acknowledge the Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; the Joint Supercomputer Center of RAS, Moscow and the ICC of Novosibirsk State University for providing the computing resources. Russian Science Foundation (Grant No 14-13-00139) supported the work of Russian team. . - ISSN 0304-8853. - ISSN 1873-4766

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
HEXAGONAL BORON-NITRIDE
   THIN-FILMS
   GIANT MAGNETORESISTANCE
   METALLIC
Кл.слова (ненормированные):
Graphene nanoribbons -- DFT -- LSMO thin films -- Induced spin polarization -- h-BN nanoribbons -- Half-metal
Аннотация: Induced spin polarization of π-conjugated carbon and h-BN low dimensional fragments at the interfaces formed by deposition of pentacene molecule and narrow zigzag graphene and h-BN nanoribbons on MnO2-terminated LSMO(001) thin film was studied using GGA PBE+U PAW D3-corrected approach. Induced spin polarization of π-conjugated low-dimensional fragments is caused by direct exchange with Mn ions of LSMO(001) MnO-derived surface. Due to direct exchange, the pentacene molecule changes its diamagnetic narrow-band gap semiconducting nature to the ferromagnetic semiconducting state with 0.15 eV energy shift between spin-up and spin-down valence bands and total magnetic moment of 0.11 μB. Direct exchange converts graphene nanoribbon to 100% spin-polarized half-metal with large amplitude of spin-up electronic density at the Fermi level. The direct exchange narrows the h-BN nanoribbon band gap from 4.04 to 1.72 eV in spin-up channel and converts the h-BN ribbon semiconducting diamagnetic nature to a semiconducting magnetic one. The electronic structure calculations demonstrate a possibility to control the spin properties of low-dimensional π-conjugated carbon and h-BN fragments by direct exchange with MnO-derived LSMO(001) surface for spin-related applications.

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Доп.точки доступа:
Kuklin, A. V.; Kuzubov, A. A.; Кузубов, Александр Александрович; Kovaleva, E. A.; Ковалева, Евгения Андреевна; Lee, Hyosun; Sorokin, Pavel B.; Sakai, Seiji; Entani, Shiro; Naramoto, Hiroshi; Avramov, P. V.; Аврамов, Павел Вениаминович; Russian Science Foundation [14-13-00139]; Euro-Asian Symposium "Trends in MAGnetism"(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); "Trends in MAGnetism", Euro-Asian Symposium(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); Институт физики им. Л.В. Киренского Сибирского отделения РАН
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10.

Sobol, A. A.
Raman spectroscopy of crystalline, glassy, and molten states of lead diborate / A. A. Sobol, V. E. Shukshin, A. I. Zaitsev // Opt. Spectrosc. - 2016. - Vol. 121, Is. 6. - P. 810-818, DOI 10.1134/S0030400X16120249. - Cited References: 30. - This work was performed with financial support from RFBR, research project no. 13-02-00707. . - ISSN 0030-400X
Кл.слова (ненормированные):
Boron -- Crystalline materials -- Raman scattering -- Single crystals -- Internal vibration -- Molten state -- Oxygen complexes -- Phonon lines -- Polarized Raman spectra -- Glass
Аннотация: Polarized Raman spectra of single crystals of lead diborate, PbB4O7 (PBO), are studied in detail at 300 K. The TO-, LO-, and IO-phonon lines of the A1, A2, B1, and B2 symmetries in the Raman spectra of this compound are assigned. Changes in the Raman spectra of the internal vibrations of boron–oxygen complexes upon transition from the crystalline to the glassy and the molten states of PBO are observed. On the basis of the obtained results, the regularities in the formation of boron–oxygen complexes in glasses, melts, and crystals of the PbO · 2B2O3, SrO · 2B2O3, and Li2O · 2B2O3. diborate compositions are analyzed. © 2016, Pleiades Publishing, Ltd.

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Публикация на русском языке Соболь А. А. Спектроскопия комбинационного рассеяния света в кристаллическом, стеклообразном и расплавленном состояниях дибората свинца [Текст] / А. А. Соболь, В. Е. Шукшин, А. И. Зайцев // Оптика и спектроскопия : Наука, 2016. - Т. 121 № 6. - С. 871–880

Держатели документа:
Prokhorov General Physics Institute, Russian Academy of Sciences, Moscow, Russian Federation
Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shukshin, V. E.; Zaitsev, A. I.; Зайцев, Александр Иванович
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