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Письма в Журнал экспериментальной и теоретической физики, 2008, том 88, выпуск 2, страницы 115–118
(Mi jetpl171)
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Эта публикация цитируется в 59 научных статьях (всего в 59 статьях)
КОНДЕНСИРОВАННЫЕ СРЕДЫ
Electronic structure of new oxygen-free 38 K superconductor
Ba${}_{1-x}$K${}_x$Fe$_2$As${}_2$ in comparison with BaFe$_2$As$_2$ from first principles
I. R. Shein, A. L. Ivanovskii Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences
Аннотация:
Based on first-principles FLAPW-GGA calculations, we have investigated the electronic structure of the newly discovered oxygen-free 38 K superconductor Ba${}_{1-x}$K$_x$Fe${}_2$As${}_2$ in comparison with a parent phase – the tetragonal ternary iron arsenide BaFe${}_2$As${}_2$. The density of states, magnetic properties, near-Fermi bands compositions, together with Sommerfeld coefficients $\gamma$ and molar Pauli paramagnetic susceptibility $\chi$ have been evaluated. The results obtained allow us to classify these systems as quasi-two-dimensional ionic metals, where conduction is strongly anisotropic, happening only in the (Fe-As) layers. According to our calculations, in the case of hole doping of BaFe${}_2$As${}_2$, the density of states at the Fermi level grows, which, possibly, may be a factor promoting the occurrence of superconductivity for Ba${}_{1-x}$K${}_x$Fe${}_2$As${}_2$. On the other hand, Ba${}_{1-x}$K${}_x$Fe${}_2$As${}_2$ lies at the border of magnetic instability and pairing interactions might involve magnetic or orbital fluctuations.
Поступила в редакцию: 06.06.2008
Образец цитирования:
I. R. Shein, A. L. Ivanovskii, “Electronic structure of new oxygen-free 38 K superconductor
Ba${}_{1-x}$K${}_x$Fe$_2$As${}_2$ in comparison with BaFe$_2$As$_2$ from first principles”, Письма в ЖЭТФ, 88:2 (2008), 115–118; JETP Letters, 88:2 (2008), 107–110
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/jetpl171 https://www.mathnet.ru/rus/jetpl/v88/i2/p115
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