๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

The thermodynamic properties of cubic fluorite-type MgF 2 : first-principles prediction

โœ Scribed by Sun, X W; Liu, Z J; Song, T; Quan, W L; Chen, Q F


Book ID
120812239
Publisher
Royal Swedish Academy of Sciences
Year
2012
Tongue
English
Weight
205 KB
Volume
85
Category
Article
ISSN
0031-8949

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


First-principles prediction of the hardn
โœ Wei Lu; Hai Wang; Yongming Hu; Haitao Huang; Haoshuang Gu ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 190 KB

We present first-principles calculations on the elastic constants, ideal tensile and shear strengths of cubic TiO 2 with a fluorite structure (f-TiO 2 ). The results show that f-TiO 2 is mechanically stable at the ground-state structure. Both shear modulus and value of hardness predicted indicate th

Structural, electronic and thermodynamic
โœ Zuo Li; Pu Wang; Haihua Chen; Xinlu Cheng ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 817 KB

The structural, electronic and thermodynamic properties of cubic Zn 3 N 2 under hydrostatic pressure up to 80 GPa are investigated using the local density approximation method with pseudopotentials of the ab initio norm-conserving full separable Troullier-Martin scheme in the frame of density functi