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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2008, Volume 88, Issue 10, Pages 777–780
(Mi jetpl291)
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This article is cited in 23 scientific papers (total in 23 papers)
CONDENSED MATTER
Electronic Structure of New AFFeAs Prototype of Iron Arsenide Superconductors
I. A. Nekrasova, Z. V. Pchelkinab, M. V. Sadovskiia a Institute of Electrophysics, Ural Division, Russian Academy of Sciences, Yekaterinburg, 620016, Russia
b Institute of Metal Physics, Ural Division, Russian Academy of Sciences, Yekaterinburg, GSP-170, 620041, Russia
Abstract:
This work is provoked by recent discovery of new class prototype systems AFFeAs (A=Sr,Ca) of novel layered ironpnictide High-$T_c$ superconductors ($T_c=36$ K). Here we report ab initio LDA results for electronic structure of the AFFeAs systems. We provide detailed comparison between electronic properties of both new systems and reference LaOFeAs (La111) compound. In the vicinity of the Fermi level all three systems have essentially the same band dispersions. However for iron fluoride systems F(2$p$) states were found to be separated in energy from As(4$p$) ones in contrast to La111, where O(2$p$) states strongly overlaps with As(4$p$). Thus it should be more plausible to include only Fe(3$d$) and As(4$p$) orbitals into a realistic noninteracting model than for La111. Moreover Sr substitution with smaller ionic radius Ca in AFFeAs materials leads to a lattice contruction and stronger Fe(3$d$)-As(4$p$) hybridization resulting in smaller value of the density of states at the Fermi level in the case of Ca compound. So to some extend Ca system reminds RE111 with later Rare Earths. However Fermi surface of new fluorides is found to be nearly perfect two-dimensional. Also we do not expect strong dependence of superconducting properties with respect to different types of A substitutes.
Received: 20.10.2008
Citation:
I. A. Nekrasov, Z. V. Pchelkina, M. V. Sadovskii, “Electronic Structure of New AFFeAs Prototype of Iron Arsenide Superconductors”, Pis'ma v Zh. Èksper. Teoret. Fiz., 88:10 (2008), 777–780; JETP Letters, 88:10 (2008), 679–682
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https://www.mathnet.ru/eng/jetpl291 https://www.mathnet.ru/eng/jetpl/v88/i10/p777
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Abstract page: | 332 | Full-text PDF : | 122 | References: | 36 |
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