Materials | |
Nitrogen Dissolution in Liquid Ga and Fe: Comprehensive Ab Initio Analysis, Relevance for Crystallization of GaN | |
Jacek Piechota1  Izabella Grzegory1  Bohdan Sadovyi1  Sylwester Porowski1  Petro Sadovyi1  Stanislaw Krukowski1  | |
[1] Institute of High Pressure Physics, Polish Academy of Sciences, 29/37, Sokolowska Street, 01-142 Warsaw, Poland; | |
关键词: ab initio; calculations; nitrogen solubility; liquid gallium; liquid iron; gallium nitride; | |
DOI : 10.3390/ma14051306 | |
来源: DOAJ |
【 摘 要 】
The dissolution of molecular nitrogen in Ga and Fe was investigated by ab initio calculations and some complementary experiments. It was found that the N bonding inside these solvents is fundamentally different. For Ga, it is between Ga4s and Ga4p and N2p states whereas for Fe this is by N2p to Fe4s, Fe4p and Fe3d states. Accordingly, the energy of dissolution of N
【 授权许可】
Unknown