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Several promising non-vdW multiferroic half-metallic nanosheets ACr2S4 (A = Li, Na, K, Rb): the first-principles researches.
- Source :
- European Physical Journal Plus; Mar2023, Vol. 138 Issue 3, p1-9, 9p
- Publication Year :
- 2023
-
Abstract
- Half-metallic nanosheets are attracting increasing attention due to their advantages such as low power consumption, high storage density, non-volatile information in spintronics. Furthermore, the nanometer multiferroic materials exhibit new singular abundant physical capabilities and application potential. In this paper, several non-vdW multiferroic half-metallic nanosheets ACr<subscript>2</subscript>S<subscript>4</subscript> (A = Li, Na, K and Rb) were predicted by the first-principles calculations. It was found that the geometric structures of these nanosheets are stable and their ground states are all ferromagnetic. The half-metallicity of these nanosheets is all stable within a certain biaxial stain range and their magnetic moments per unit always retain at 5.00 μ<subscript>B</subscript>, which origin mainly from Cr-ions and partially from the S-ions. There is strong ferromagnetic coupling between Cr-ions and weak antiferromagnetic coupling between Cr-ions and S-ions. The half-metallicity of these nanosheets may be improved significantly by the biaxial tensile strain. Based on the crystal field theory, the two-center electronic structures t<subscript>2g</subscript><superscript>6</superscript>↑t<subscript>2g</subscript><superscript>4</superscript>↓e<subscript>g</subscript><superscript>3</superscript>↑were built, which provides direct physical insights into the origin of the half-metallicity and the magnetic moment. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 21905444
- Volume :
- 138
- Issue :
- 3
- Database :
- Complementary Index
- Journal :
- European Physical Journal Plus
- Publication Type :
- Academic Journal
- Accession number :
- 163120994
- Full Text :
- https://doi.org/10.1140/epjp/s13360-023-03789-6