Electronic band structure and Fermi surface of new low-temperature Ni-based superconductors: 3.3 K (Ni2P2)(Sr4Sc2O6) and 2.7 K (Ni2As2)(Sr4Sc2O6) from first principles

被引：4

作者：

Shein, I. R. ^{[1
]}

Suetin, D. V. ^{[1
]}

Ivanovskii, A. L. ^{[1
]}

机构：

[1] Russian Acad Sci, Ural Branch, Inst Solid State Chem, Ekaterinburg 620990, Russia

来源：

PHYSICA B-CONDENSED MATTER | 2011年 / 406卷 / 03期

关键词：

Superconducting (Ni2P2)(Sr4Sc2O6) (Ni2As2)(Sr4Sc2O6); Structural and electronic properties; Fermi surface; Ab initio calculations; IRON-BASED SUPERCONDUCTORS; SR4SC2FE2AS2O6; SR2CRO3FEAS; PNICTIDE; PHASE;

D O I：

10.1016/j.physb.2010.11.084

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Based on first-principle FLAPW-GGA calculations, we have investigated structural and electronic properties of the recently synthesized tetragonal (space group P4/nmm) nickel-based pnictide oxide superconductors: 3.3 K (Ni2P2)(Sr4Sc2O6) and 2.7 K (Ni2As2)(Sr4Sc2O6). Optimized structural data, electronic bands, total and partial densities of states, and Fermi surface topology have been obtained and discussed in comparison with available experiments and with their Fe-based (Fe2P2)(Sr4Sc2O6) and (Fe2As2)(Sr4Sc2O6) analogs. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：676 / 682

页数：7

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