| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7922838 | Materials Chemistry and Physics | 2015 | 7 Pages |
Abstract
The magnetic properties of Li, Mg, Al and K doped SrTiO3 are systematically investigated using first-principle calculations with hybrid functionals. The spontaneous magnetization for K doping at A site (Sr site) and X doping (X = Li, Mg and Al) at B site (Ti site) was observed. Interestingly, doping X at B site only polarizes the oxygen atoms, while doping K at A site polarizes both oxygen and titanium atoms in opposite directions. The induced magnetic moments increase monotonously with the number of holes introduced by doping. The estimated Curie temperatures TC¯ are much higher than the room temperature which indicates the room temperature ferromagnetism can be realized by hole doping in SrTiO3.
Related Topics
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Authors
Yanyu Liu, Wei Zhou, Ping Wu,