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Authors:
Grossman, Victoria |
Atuchin, Victor V. |
Bazarov, Bair G. |
Aleksandrovsky, Aleksandr S. |
Eremin, Evgeniy |
Krylov, Alexander S. |
Kuratieva, Natalia V. |
Bazarova, Jibzema G. |
Maximov, Nikolai |
Molokeev, Maxim S. |
Oreshonkov, Aleksandr S. |
Pervukhina, Natalia V. |
Shestakov, Nikolai P.
Source: Molecules. 2023. Vol. 28, № 4. P. 1629 (1-22)
Type: статьи в журналах
Date: 2023
Description:
A new multicationic structurally disordered K5FeHf(MoO4)6 crystal belonging to the molybdate family is synthesized by the two-stage solid state reaction method. The characterization of the electronic
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Source: Nanomaterials. 2023. Vol. 13, № 1. P. 38 (1-14)
Type: статьи в журналах
Date: 2023
Description:
Using relativistic spin-polarized density functional theory calculations we investigate magnetism, electronic structure and topology of the ternary thallium gadolinium dichalcogenides TlGdZ2 (Z = Se a
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Source: Известия высших учебных заведений. Физика. 2023. Т. 66, № 9. С. 37-46
Type: статьи в журналах
Date: 2023
Description:
Методом проекционных присоединенных волн в рамках теории функционала электронной плотности проведено систематическое изучение химической связи на границе раздела γ-TiAl/α-Al2O3(0001) c промежуточными
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Source: Journal of experimental and theoretical physics. 2022. Vol. 134, № 6. P. 743-753
Type: статьи в журналах
Date: 2022
Description:
The atomic and electronic structures, the elastic moduli, the vibrational frequencies, and the thermodynamic characteristics of the Ti5Si3 titanium silicide are calculated by the projector augmented w
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Source: AIP Conference Proceedings. 2022. Vol. 2509. P. 020050-1-020050-4
Type: статьи в журналах
Date: 2022
Description:
The atomic and electronic structures as well as the elastic properties of Ti5Si3 compound have been studied by the projector augmented-waves method within density functional theory. The electron energ
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Source: Metals. 2022. Vol. 12, № 3. P. 492 (1-12)
Type: статьи в журналах
Date: 2022
Description:
The atomic structure and surface energies of several low-index surfaces (0001), (1100) and (1120) of Ti5Si3 in dependence on their termination were calculated by the projector augmentedwave method wit
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Source: The Journal of Physical Chemistry A. 2022. Vol. 126, № 16. P. 2445-2452
Type: статьи в журналах
Date: 2022
Description:
Cyclo[n]carbons (n = 5, 7, 9,..., 29) composed from an odd number of carbon atoms are studied computationally at density functional theory (DFT) and ab initio complete active space self-consistent fie
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Source: Crystals. 2022. Vol. 12, № 4. P. 477 (1-15)
Type: статьи в журналах
Date: 2022
Description:
The mechanism of the chemical bonding of oxygen and fluorine on the GaSb(111) surface depending on its termination is studied by the projector augmented-waves method within density functional theory.
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Type: диссертации
Date: 2022
Authors:
Fedorov, Alexander V. |
Poelchen, Georg |
Eremeev, Sergey V. |
Schulz, Susanne |
Generalov, Alexander |
Polley, C. |
Laubschat, Clemens |
Kliemt, Kristin |
Kaya, M. |
Krellner, Cornelius |
Chulkov, Evgueni V. |
Kummer, Kurt |
Usachov, Dmitry Yu. |
Ernst, Arthur |
Vyalikh, Denis V.
Source: The journal of physical chemistry letters. 2021. Vol. 12, № 34. P. 8328-8334
Type: статьи в журналах
Date: 2021
Description:
Discovered in 1962, the divalent ferromagnetic semiconductor EuS (T-C = 16.5 K, E-g = 1.65 eV) has remained constantly relevant to the engineering of novel magnetically active interfaces, heterostruct
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Source: Physical Mesomechanics. 2021. Vol. 24, № 5. P. 523-532
Type: статьи в журналах
Date: 2021
Description:
A systematic study of the atomic and electronic structure of the γ-TiAl(111)/α-Al2O3(0001) interface with intermediate metal (Nb, Mo, Ni, Re) and oxide (Nb2O5, MoO3) layers has been performed by the p
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Source: Russian physics journal. 2021. Vol. 64, № 8. P. 1451-1459
Type: статьи в журналах
Date: 2021
Description:
The paper investigates the magnetic and electronic structure of GdX2Si2 (X is Cu, Ag, Au) compounds in terms of the density functional theory with the emphasis on the spin-orbit interaction affecting
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Source: Известия высших учебных заведений. Физика. 2021. Т. 64, № 4. С. 24-31
Type: статьи в журналах
Date: 2021
Description:
Методом проекционных присоединенных волн в рамках теории функционала электронной плотности проведено систематическое изучение атомной и электронной структуры границы раздела α2-Ti3Al/α-Al2O3(0001) c п
... More
Authors:
Mararov, V. V. |
Utas, T. V. |
Bondarenko, Leonid V. |
Tupchaya, Alexandra Yu. |
Matetskiy, Andrey V. |
Denisov, N. V. |
Mihalyuk, Alexey N. |
Eremeev, Sergey V. |
Gruznev, Dimitry V. |
Olyanich, D. A. |
Zotov, Andrey V. |
Saranin, Alexander A.
Source: Applied surface science. 2020. Vol. 501. P. 144253 (1-7)
Type: статьи в журналах
Date: 2020
Description:
So-called metal-induced silicon reconstructions (i.e., metal films of monolayer or submonolayer thickness epitaxially grown on single-crystal silicon substrates in ultra-high vacuum) represent a speci
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Source: Известия высших учебных заведений. Физика. 2020. Т. 63, № 6. С. 50-56
Type: статьи в журналах
Date: 2020
Description:
Описаны общие закономерности развития локализованного пластического течения на стадии линейного деформационного упрочнения девятнадцати различных металлов. Установлены корреляции между положением мета
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