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Эта публикация цитируется в 7 научных статьях (всего в 7 статьях)
КОНДЕНСИРОВАННОЕ СОСТОЯНИЕ
Electronic properties and Fermi surface for new Fe-free
layered pnictide-oxide superconductor
BaTi$_2$Bi$_2$O from first principles
D. V. Suetin, A. L. Ivanovskii Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences
Аннотация:
Very recently, as an important step in the development of layered
Fe-free pnictide-oxide superconductors, the new phase
BaTi$_2$Bi$_2$O was discovered which has the
highest $T_C$ (${\sim}\,4.6\,$K)
among all related non-doped systems. In this Letter, we report
for the first time the electronic bands,
Fermi surface topology, total and partial
densities of electronic states for BaTi$_2$Bi$_2$O
obtained by means of the first-principles
FLAPW-GGA calculations. The inter-atomic bonding picture is described as a
high-anisotropic mixture of metallic,
covalent, and ionic contributions. Besides, the
structural and electronic factors, which can be responsible for the increased
transition temperature for BaTi$_2$Bi$_2$O (as compared
with related pnictide-oxides
BaTi$_2$As$_2$O and BaTi$_2$Sb$_2$O), are discussed.
Поступила в редакцию: 21.01.2013
Образец цитирования:
D. V. Suetin, A. L. Ivanovskii, “Electronic properties and Fermi surface for new Fe-free
layered pnictide-oxide superconductor
BaTi$_2$Bi$_2$O from first principles”, Письма в ЖЭТФ, 97:4 (2013), 248–252; JETP Letters, 97:4 (2013), 220–225
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/jetpl3360 https://www.mathnet.ru/rus/jetpl/v97/i4/p248
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Страница аннотации: | 184 | PDF полного текста: | 52 | Список литературы: | 39 | Первая страница: | 2 |
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