First principles study of pressure-induced magnetic transition in CrN
โ Scribed by A.T. Asvini meenaatci; R. Rajeswarapalanichamy; K. Iyakutti
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 934 KB
- Volume
- 406
- Category
- Article
- ISSN
- 0921-4526
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The pressure-induced tetragonal-to-cubic phase transition of PbTiO 3 is investigated in the pressure range of ร5 to 35 GPa using the density-functional theory with the local density approximation. The spontaneous polarization and spontaneous strain, calculated as the order parameters, are found to d
We present a first-principles study of the phase transition and lattice dynamics of Ce within the framework of the density functional theory using the GGA +U method. Our calculated results denote that under pressure the transition path is a-Ce (fcc)-a 00 -Ce (monoclinic, with two atoms per unit cell