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Ferroelectric and ferroelastic phase transitions in some oxyfluorides A2AMOxF6-x with elpasolite-cryolite structure [Text] / Flerov I. // 9th Russai/CIS/Baltic/Japan symposium on ferroelectricity : abstracts book : June 15-19, 2008, Vilnius, Lithuania. - p. 113

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Russia/CIS/Baltic/Japan Symposium on Ferroelectricity(9 ; 2008 ; May ; Vilnus, Lithuania)
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The lattice dynamics, ferroelectric and antiferroelectric instability and ferroelectric phase transition in disorder solid solutions PbB’1/2B”1/2O3 (B’ = Ga, In, Lu; B” = Nb, Ta) [Text] / Zhandun V.S., Zamkova N.G., Zinenko V.I. // 9th Russai/CIS/Baltic/Japan symposium on ferroelectricity : abstracts book : June 15-19, 2008, Vilnius, Lithuania. - p. 32

Доп.точки доступа:
Zhandun, V. S.; Жандун, Вячеслав, Сергеевич; Zamkova, N. G.; Замкова, Наталья, Геннадьевна; Zinenko, V. I.; Зиненко, Виктор, Иванович; Russia/CIS/Baltic/Japan Symposium on Ferroelectricity(9 ; 2008 ; May ; Vilnus, Lithuania)
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Phase transitions, baro- and piezocaloric effects in single crystal and ceramics of ferroelectric NH4HSeO4 / V. S. Bondarev, E. A. Mikhaleva, M. V. Gorev [et al.] // Solid State Sci. - 2024. - Vol. 148. - Ст. 107440, DOI 10.1016/j.solidstatesciences.2024.107440. - Cited References: 45. - The study was supported by the grant of the Russian Science Foundation No. 23-22-10014, Krasnoyarsk Regional Science Foundation, https://rscf.ru/en/project/23-22-10014/ . - ISSN 1293-2558. - ISSN 1873-3085
Кл.слова (ненормированные):
Ferroelectrics -- Phase transition -- Thermal properties -- High pressure -- Caloric effects
Аннотация: A study of heat capacity, thermal dilatation and sensitivity to hydrostatic and uniaxial pressure was carried out on single-crystal and ceramic samples of NH4HSeO4. The main parameters of low-temperature successive phase transitions B2 (T1) ↔ incommensurate IC (T2) ↔ ferroelectric P1 (T3) ↔ non-ferroelectric did not depend on the type of samples. The behavior of the volumetric strain and the results of direct measurements of T3(p) contributed to the resolution of the longstanding problem associated with the ambiguity of the sign of the corresponding volumetric baric coefficient. The role of thermal expansion anisotropy in the formation of the piezocaloric effect (PCE) near the ferroelectric phase transition at T3 has been studied. Due to the strong difference in the linear baric coefficients, the main contribution to the barocaloric effect (BCE) comes from the inverse intensive and extensive PCE associated with the a-axis. Compared to a single crystal, ceramics demonstrate lower BCE values, which, however, exist in a wider temperature range, which leads to close values of integral caloric parameters. The strong decrease in both BCE and PCE at low-temperature transformations in NH4HSeO4 compared to the ferroelectrics NH4HSO4 and NH4NH4SO4 is associated with a small change in entropy during three low-temperature phase transitions, ΣΔSi = 2.52 J/mol∙K, which is a consequence of a high degree of structural ordering in selenate as a result of a high-temperature transformation at T0 between the superionic and B2 phases, accompanied by a giant change in entropy, ΔS0≈Rln21.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036, Krasnoyarsk, Russia
Siberian Federal University, 660074, Krasnoyarsk, Russia
Krasnoyarsk State Agrarian University, 660049, Krasnoyarsk, Russia

Доп.точки доступа:
Bondarev, V. S.; Бондарев, Виталий Сергеевич; Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Cherepakhin, A. V.; Черепахин, Александр Владимирович; Flerov, I. N.; Флёров, Игорь Николаевич
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Structural, electronic, and optical properties of ferroelectric hybrid (Me2NH2)[NaFe(CN)5(NO)] crystal: Density functional theory simulation / S. Krylova, W. -J. Xu, J. Rocha, A. Kholkin // Mater. Today Commun. - 2024. - Vol. 40. - Ст. 109623, DOI 10.1016/j.mtcomm.2024.109623. - Cited References: 50. - This work was developed within the scope of the project CICECOAveiro Institute of Materials, UIDB/50011/2020 (DOI 10.54499/UIDB/50011/2020), UIDP/50011/2020 (DOI 10.54499/UIDP/50011/2020) and LA/P/0006/2020 (DOI 10.54499/LA/P/0006/2020), financed by national funds through the FCT/MCTES (PIDDAC). W-JX, JR, and AK were supported by the Fundação para a Ciência e a Tecnologia (FCT) through the project ‘‘PhotoMultiFerro’’ (PTDC/CTM-CTM/4044). SK acknowledges the support by the state assignment of the Kirensky Institute of Physics FRC KSC SB RAS. We would like to express our gratitude to Prof. Pierre Cazade for the valuable insights and constructive discussions he has provided . - ISSN 2352-4928
Кл.слова (ненормированные):
Sodium nitroprusside -- Density functional theory -- Electronic properties -- Hybrid crystal
Аннотация: Utilizing density functional theory (DFT), we embarked on a comprehensive investigation of the structural, electronic, and optical properties characteristic of the ferroelectric hybrid (Me2NH2)[NaFe(CN)5(NO)] crystal. The geometry of the crystal structure in the Pna21 phase was optimized. We simulated the electronic band structure within the first Brillouin zone. The calculated band gap for the indirect U-X transition is 2.401 eV, indicative of a wide band gap semiconductors. We also simulated the density of electronic states across the Brillouin zone. The simulation of the electronic structure revealed that the crystal comprises both ionic and covalent bonds. We accurately predicted various optical parameters including the dielectric function, conductivity, reflectivity, loss function, absorption, and refractive index. The reflectivity of the crystal does not exceed 21 percent. All calculated optical properties of the (Me2NH2)[NaFe(CN)5(NO)] crystal are anisotropic.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Department of Chemistry & CICECO – Aveiro Institute of Materials, University of Aveiro, 3810-193 Aveiro, Portugal
Department of Physics & CICECO – Aveiro Institute of Materials, University of Aveiro, 3810-193, Aveiro, Portugal

Доп.точки доступа:
Krylova, S. N.; Крылова, Светлана Николаевна; Xu, W.-J.; Rocha, J.; Kholkin, A.
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Enhancement of thermoelectric performance in Bi0.5Sb1.5Te3 particulate composites including ferroelectric BaTiO3 nanodots / Y. Cheng, J. Yang, Y. Luo [et al.] // ACS Appl. Mater. Interfaces. - 2022. - Vol. 14, Is. 32. - P. 37204-37212, DOI 10.1021/acsami.2c10424. - Cited References: 40. - This work was supported by the National Natural Science Foundation of China (51772019, 51572098, and 51632006) and the NSFC-Royal Society joint project (51811530307 and IEC\NSFC\170290) . - ISSN 1944-8244
Кл.слова (ненормированные):
thermoelectric -- ferroelectric -- BaTiO3 -- Bi0.5Sb1.5Te3 -- coupling
Аннотация: An increasing number of studies have reported producing composite structures by combining thermoelectric and functional materials. However, combining energy filtering and ferroelectric polarization to enhance the dimensionless figure of merit thermoelectric ZT remains elusive. Here we report a composite that contains nanostructured BaTiO3 embedded in a Bi0.5Sb1.5Te3 matrix. We show that ferroelectric BaTiO3 particles are evenly composited with Bi0.5Sb1.5Te3 grains reducing the concentration of free charge carriers with increasing BaTiO3 content. Additionally, as a result of the energy-filtering effect and ferroelectric polarization, the Seebeck coefficient was improved by ∼10% with a ∼10% improvement in power factors. The BaTiO3 phase can effectively scatters phonons reducing lattice thermal conductivity κl (0.5 W m–1 K–1) and increasing ZT to 1.31 at 363 K in Bi0.5Sb1.5Te3 composites with 2 vol % BaTiO3 content giving an improvement of ∼25% over pure Bi0.5Sb1.5Te3. Our work indicates that the introduction of ferroelectric nanoparticles is an effective method for optimizing the ZT of Bi0.5Sb1.5Te3-based thermoelectric materials.

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Держатели документа:
State Key Laboratory of Materials Processing and Die and Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Hubei Province, Wuhan, 430074, China
Kirensky Institute of Physics, Federal Research Center Ksc Sb Ras, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660036, Russian Federation
School of Engineering, London South Bank University, 103 Borough Road, London, SE1 0AA, United Kingdom
School of Engineering and Materials Science, Queen Mary University of London, Mile End Road, London, E1 4NS, United Kingdom

Доп.точки доступа:
Cheng, Y.; Yang, J.; Luo, Y.; Li, W.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Jiang, Q.; Dunn, S.; Yan, H.
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Efficiency of energy harvesting and storage using a multilayer capacitor based on BaTi0.86Sn0.14O3 ferroelectric lead-free ceramics / V. D. Fokina, V. S. Bondarev, E. I. Pogoreltsev, I. N. Flerov // Ceram. Int. - 2022. - Vol. 48, Is. 22. - P. 32966-32972, DOI 10.1016/j.ceramint.2022.07.227. - Cited References: 45 . - ISSN 0272-8842
Кл.слова (ненормированные):
Ferroelectric properties -- BaTiO3 and titanates -- Capacitors -- Energy harvesting/storage
Аннотация: The study of the parameters of energy harvesting and storage in the lead-free solid solution BaTi0.86Sn0.14O3 (BTSnO) was performed. The permittivity shows the behavior similar to a diffuse phase transition with the critical exponent γ = 1.84, which is close to the value characteristic of relaxors. Large values of the recoverable energy density, Wrec=(5.8–7.0)∙104 J/m3, and the energy storage efficiency coefficient, η=(82–94) %, are implemented in a wide temperature range, 30–87°С, at a low electric field, E = 18.5 kV/cm. For the first time, the analysis of the Olsen cycle was performed using two phase diagrams: polarization – electric field and entropy – temperature. A fairly good agreement was found between the values of the energy conversion density, ND ≈ 0.15 J/cm3, which was determined using two approaches. A universal parameter is proposed for comparing the energy harvesting density for the materials studied in different ranges of temperature and electric fields.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660074, Russian Federation

Доп.точки доступа:
Fokina, V. D.; Фокина, Валентина Дмитриевна; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Flerov, I. N.; Флёров, Игорь Николаевич
}
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Heat capacity and thermal expansion of nanosized ferroelectric (NH4)2SO4 embedded in borosilicate glasses / E. A. Mikhaleva, M. V. Gorev, V. S. Bondarev [et al.] // J. Non-Cryst. Solids. - 2022. - Vol. 597. - Ст. 121935, DOI 10.1016/j.jnoncrysol.2022.121935. - Cited References: 29. - The authors are grateful to Dr. Ewa Rysiakiewicz-Pasek (Wroclaw University of Science and Technology, Poland) for the preparation and characterization of borosilicate glasses. 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 0022-3093
Кл.слова (ненормированные):
Nanocomposite -- Ferroelectrics -- Phase transition -- Thermal expansion -- Entropy
Аннотация: The thermal properties of nanocomposites obtained by incorporating a ferroelectric (NH4)2SO4 (AS) into porous glasses (PG) was studied for the first time. X-ray diffraction studies showed a strong increase in the ratio of the size of nanocrystallites grown in glass matrices to pore size, dcryst/ dpore = 0.47→1.50→5.00, with a decrease in dpore = 320→46→7 nm. Calorimetric and dilatometric measurements showed a change from a first-order phase transition in AS single crystal to a second-order transformation in AS nanocrystallites. A restricted geometry also led to a significant decrease in the anomalous entropy in AS+PG samples compared to AS (J/mol∙K): 17.7 (AS)→12.4 (AS+PG320)→10.4 (AS+PG46)→8.1 (AS+PG7). A discussion of the nontrivial behavior of the phase transition temperature in embedded AS was carried out using the degree of PG filling, the ratio dcryst/dpore, texture, and the volumetric and linear baric coefficients for the bulk AS.

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Держатели документа:
Federal Research Center KSC SB RAS, Kirensky Institute of Physics, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660074, Russian Federation
Federal Research Center "Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Ioffe Physico-Technical Institute, RAS, St.-Petersburg, 194021, Russian Federation

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Gorev, M. V.; Горев, Михаил Васильевич; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zaitsev, A. I.; Зайцев, Александр Иванович; Nemtsev, I. V.; Fokin, A. V.; Flerov, I. N.; Флёров, Игорь Николаевич
}
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Periodic structures of linear defects in cholesteric layer with conical-planar anchoring under electric field / O. O. Prishchepa, M. N. Krakhalev, V. Yu. Rudyak [et al.] // 18th International conference on ferroelectric liquid crystals : book of abstracts. - 2021. - Ст. O25. - Cited References: 4. - This work was supported by the Russian Science Foundation (No. 18-72-10036)

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Доп.точки доступа:
Prishchepa, O. O.; Прищепа, Оксана Олеговна; Krakhalev, M. N.; Крахалев, Михаил Николаевич; Rudyak, V. Yu.; Sutormin, V. S.; Сутормин, Виталий Сергеевич; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; "Polarity and Chirality in Soft Matter", International Conference on Ferroelectric Liquid Crystal(18 ; 2021 ; Sept. 6-10 ; Ljubljana, Slovenia)
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Polarization rotation by cholesteric layers with tangential-conical boundary conditions / V. S. Sutormin, M. N. Krakhalev, I. V. Timofeev [et al.] // 18th International conference on ferroelectric liquid crystals : book of abstracts. - 2021. - Ст. P18. - Cited References: 2. - This work was supported by the Russian Science Foundation (No. 18-72-10036)

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Доп.точки доступа:
Sutormin, V. S.; Сутормин, Виталий Сергеевич; Krakhalev, M. N.; Крахалев, Михаил Николаевич; Timofeev, I. V.; Тимофеев, Иван Владимирович; Bikbaev, R. G.; Бикбаев, Рашид Гельмединович; Prishchepa, O. O.; Прищепа, Оксана Олеговна; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; "Polarity and Chirality in Soft Matter", International Conference on Ferroelectric Liquid Crystal(18 ; 2021 ; Sept. 6-10 ; Ljubljana, Slovenia)
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10.

Comparative analysis of elastocaloric and barocaloric effects in single-crystal and ceramic ferroelectric (NH4)2SO4 / E. Mikhaleva, M. Gorev, V. Bondarev [et al.] // Scripta Mater. - 2021. - Vol. 191. - P. 149-154, DOI 10.1016/j.scriptamat.2020.09.030. - Cited References: 47. - The reported study was supported by the Russian Science Foundation (project no. 19-72-00023 ). 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 1359-6462
Кл.слова (ненормированные):
Polymorphic phase transformation -- Phase diagram -- Order–disorder phenomena -- Entropy -- Caloric effects
Аннотация: We report the influence of anisotropy and texture on elasto(ElCE)- and baro(BCE)-caloric effects in single-crystal and ceramic (NH4)2SO4. Inverse extensive and intensive ElCE in ceramics, (ΔSElCE)cer = 87 J/kg·K; ΔTAD = - 11.6 K), as well as in a single crystal along the ferroelectric axis a, (ΔSElCE)a = 115 J/kg·K; (ΔTAD)a = - 16 K, significantly exceed BCE, ΔSBCE = 75 J/kg·K; ΔTAD = - 9.8 K, even at low pressure ~ 0.3 GPa. Caloric parameters of ammonium sulphate are comparable with those for promising solid-state refrigerants.

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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
Institute of Engineering Systems and Energy, Krasnoyarsk State Agrarian University, Krasnoyarsk, 660049, Russian Federation

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Gorev, M. V.; Горев, Михаил Васильевич; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Flerov, I. N.; Флёров, Игорь Николаевич
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