Different Oxygen Vacancy Influence on the Electronic Structure of Ca4Al2O6-y Fe2As2 Superconductor

被引：0

作者：

Zhang, L. ^{[1
,2
]}

Wang, S. L. ^{[1
]}

Rui, X. F. ^{[3
]}

Li, Y. K. ^{[4
]}

Zhou, Y. ^{[1
]}

机构：

[1] China Jiliang Univ, Dept Phys, Hangzhou 310018, Peoples R China

[2] Zhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China

[3] Link A Media Devices Corp, Santa Clara, CA 95051 USA

[4] Hangzhou Normal Univ, Dept Phys, Hangzhou 310027, Peoples R China

来源：

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2013年 / 26卷 / 03期

基金：

美国国家科学基金会;

关键词：

Ca4Al2O6-yFe2As2; superconductor; Oxygen vacancy; Electronic structure;

D O I：

10.1007/s10948-012-1802-z

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

By means of density functional theory from first principle study, we calculate the band structure and DOS and PDOS of the Ca4Al2O6-x Fe2As2 and compare the DOS and PDOS among the Ca4Al2O6-x Fe2As2 with O1 (4f site), O2 (2c site) vacancy (x=0.2) and no oxygen vacancy (x=0). It is inferred that both the O1 and O2 vacancies of the Ca4Al2O6-x Fe2As2 are beneficial for improving its conductivity and the reason why parent Ca4Al2O6-x Fe2As2 is a superconductor probably results from the oxygen vacancy. These results are helpful for explaining the reason why some parent 426 iron-based compounds are superconductors and for synthesizing new 42622-type structured iron-based superconductors with oxygen vacancy.

引用

页码：619 / 622

页数：4

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