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A first-principles study on the structural, lattice dynamical and thermodynamic properties of beryllium chalcogenides

✍ Scribed by Xudong Zhang; Caihong Ying; Guimei Shi; Zhijie Li


Book ID
113849639
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
377 KB
Volume
406
Category
Article
ISSN
0921-4526

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πŸ“œ SIMILAR VOLUMES


First-principles study on the lattice dy
✍ Miao Rende; Yanbiao Li; Zhong Bai; Liang Wang; Li_an Chen πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 434 KB

The lattice dynamics of room temperature tetragonal phase of CaFe 2 As 2 is studied by first-principles calculations based on the ab initio pseudopotential and plane wave basis. Phonon spectrum throughout the Brillouin zone is obtained using the density-functional perturbation theory within the line