David Scanlon

Oct 4, 2023 | link.aps.org | Xinwei Wang |Sean Kavanagh |David Scanlon

The phenomenon of negative-U behavior, where a defect traps a second charge carrier more strongly than the first, has been established in many host crystals. Here, we report the case of four-carrier transitions for both vacancy defects in Sb2Se3. A global structure searching strategy is employed to explore the defect energy landscape from first principles, revealing large atomic reconfigurations which facilitate a major charge redistribution.

Jun 19, 2023 | nature.com | Hongguang Wang |Bonan Zhu |Kai Jiang |Dirk Backes |Aiping Chen |Quanxi Jia | +2 more

AbstractTransition metal oxides are promising candidates for the next generation of spintronic devices due to their fascinating properties that can be effectively engineered by strain, defects, and microstructure. An excellent example can be found in ferroelastic LaCoO3 with paramagnetism in bulk. In contrast, unexpected ferromagnetism is observed in tensile-strained LaCoO3 films, however, its origin remains controversial.