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ЖУРНАЛЫ // Письма в Журнал экспериментальной и теоретической физики // Архив

Письма в ЖЭТФ, 2013, том 97, выпуск 1, страницы 18–23 (Mi jetpl3321)

Эта публикация цитируется в 14 статьях

КОНДЕНСИРОВАННОЕ СОСТОЯНИЕ

LDA$^\prime$+DMFT investigation of electronic structure of K$_{1-x}$Fe$_{2-y}$Se$_2$ superconductor

I. A. Nekrasova, N. S. Pavlova, M. V. Sadovskiiab

a Institute of Electrophysics, Ural Branch, Russian Academy of Sciences, Ekaterinburg
b Institute of Metal Physics, Ural Division of the Russian Academy of Sciences

Аннотация: We investigate electronic structure of the new iron chalcogenide high temperature superconductor K$_{1-x}$Fe$_{2-y}$Se$_2$ (hole doped case with $x=0.24$, $y=0.28$) in the normal phase using the novel LDA$^\prime$+DMFT computational approach. We show that this iron chalcogenide is more correlated in a sense of bandwidth renormalization (energy scale compression by factor about 5 in the interval $\pm1.5$ eV), than typical iron pnictides (compression factor about 2), though the Coulomb interaction strength is almost the same in both families. Our results for spectral densities are in general agreement with recent ARPES data on this system. It is found that all Fe-$3d(t_{2g})$ bands crossing the Fermi level have equal renormalization, in contrast to some previous interpretations. Electronic states at the Fermi level are of predominantly $xy$ symmetry. Also we show that LDA$^\prime$+DMFT results are in better agreement with experimental spectral function maps, than the results of conventional LDA+DMFT. Finally we make predictions for photoemission spectra lineshape for K$_{0.76}$Fe$_{1.72}$Se$_2$.

Поступила в редакцию: 15.11.2012

Язык публикации: английский

DOI: 10.7868/S0370274X13010049


 Англоязычная версия: Journal of Experimental and Theoretical Physics Letters, 2013, 97:1, 15–19

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