Cargando…
Analysis on the energetics, magnetism and electronic properties in a 45° ZnO grain boundary doped with Gd
The structural stability and magnetic properties of a grain boundary (GB) formed by aligning two ZnO single crystals oriented at an angle of 45° is investigated by density functional theory, using generalized gradient approximation (GGA) and taking the U parameter into consideration for the 4f impur...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9079841/ https://www.ncbi.nlm.nih.gov/pubmed/35539352 http://dx.doi.org/10.1039/c8ra00985f |