Title of article
Theoretical investigation on the magnetic and electronic properties of La2NiIrO6
Author/Authors
Wang، نويسنده , , Jing and Li، نويسنده , , Kai and Yu، نويسنده , , Bing and Wu، نويسنده , , Zhijian، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2012
Pages
4
From page
149
To page
152
Abstract
The electronic and magnetic properties of double perovskite La2NiIrO6 were studied by use of the density functional theory and including both the electron correlation and spin–orbit coupling. Monoclinic structure with antiferromagnetic coupling is the most stable among the considered geometric and magnetic structures. Semiconducting behavior is predicted by the simultaneous inclusion of electron correlation and spin–orbit coupling.
Keywords
Spin–Orbit coupling , electron correlation , Density functional theory , Magnetic interaction type , La2NiIrO6
Journal title
Computational Materials Science
Serial Year
2012
Journal title
Computational Materials Science
Record number
1689701
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