Electronic structure of the spin gapless material Co-doped PbPdO2

被引：10

作者：

Srivastava, Pooja ^{[1
]}

Nagare, B. J. ^{[2
]}

Kanhere, Dilip G. ^{[3
]}

Sen, Prasenjit ^{[1
]}

机构：

[1] Harish Chandra Res Inst, Allahabad 211019, Uttar Pradesh, India

[2] Univ Mumbai, Dept Phys, Bombay 400098, Maharashtra, India

[3] Cent Univ Rajasthan, Kishangarh 305802, Rajasthan, India

来源：

JOURNAL OF APPLIED PHYSICS | 2013年 / 114卷 / 10期

关键词：

TOTAL-ENERGY CALCULATIONS; OPTICAL-PROPERTIES; PDO; TRANSITION; OXIDES;

D O I：

10.1063/1.4821039

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

First-principles electronic structure calculations are performed for the pure and Co-doped PbPdO2 using plane wave density functional method using different exchange-correlation functionals. These calculations indicate the 25% Co-doped PbPdO2 to be a spin gapless semiconductor, as proposed earlier [X. L. Wang, Phys. Rev. Lett. 100, 156404 (2008)]. Insights into the nature of magnetic interaction between the Co-spins and its origin are developed through calculations over a wide range of Co concentrations. (C) 2013 AIP Publishing LLC.

引用

页数：8

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