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Ab initio study of phase transition and bulk modulus of NaH

✍ Scribed by Xiao-Wei Sun; Qi-Feng Chen; Xiang-Rong Chen; Ling-Cang Cai; Fu-Qian Jing


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
405 KB
Volume
184
Category
Article
ISSN
0022-4596

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πŸ“œ SIMILAR VOLUMES


An ab initio perturbed ion study of bulk
✍ J. AndrΓ©s; A. BeltrΓ‘n πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 499 KB

The ab initio perturbed ion method has been applied to CeOz in order to characterize the geometric, mechanical, thermodynamic and electronic properties of the ground state of this system. The lattice parameter is found to be 535.3 pm, the bulk modulus is 5977 MPa, the lattice energy is -98 17.3 kJ m