Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1592798 | Solid State Communications | 2012 | 4 Pages |
Abstract
Half-metallic material, perovskite sulfide Y MnS3, is theoretically discovered. Our calculated results show that the ground state is the ferromagnetic state with a high estimated Curie temperature of about 869 K, and the ground-state structure exhibits Pm3m space group with no Jahn–Teller distortion. The ferromagnet behaves as half-metal with an energy gap of 1.30 eV at the Fermi level in the down-spin band. Additionally, Mn ions are in the high-spin state with the chemical valence state of Mn3+.
► Y MnS3 is theoretically discovered as a ferromagnetic half-metallic material. ► Y MnS3 has a high estimated Curie temperature of about 869 K. ► The ground-state structure exhibits Pm3m space group with no Jahn–Teller distortion.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Haiping Wu, Ruifeng Lu, Weishi Tan, Chuanyun Xiao, Kaiming Deng, Yan Qian,