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
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First-principles study on the lattice dynamics of FeSb2
โ Scribed by Rende Miao; Guiqin Huang; Chunhui Fan; Zhong Bai; Yanbiao Li; Liang Wang; Li_an Chen; Wenguang Song; Qiangui Xu
- Book ID
- 113915610
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 315 KB
- Volume
- 152
- Category
- Article
- ISSN
- 0038-1098
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