๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

First-principles generalized gradient approximation + U study of cubic CuAl2O4

โœ Scribed by Liu, Qi-Jun; Liu, Zheng-Tang


Book ID
118252364
Publisher
American Institute of Physics
Year
2011
Tongue
English
Weight
1008 KB
Volume
99
Category
Article
ISSN
0003-6951

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


The first-principle studies of the cryst
โœ Liang Zhang; Guang-Fu Ji; Feng Zhao; Chuan-Min Meng; Dong-Qing Wei ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 322 KB

Magnesium aluminum spinel (MgAl 2 O 4 ) is a major constituent of the shallow upper mantle. It is of great geophysical importance to explore its physical properties under high pressure and temperature. The firstprinciple density functional theory (DFT) with the plane wave along with pseudopotential