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First principles calculations of electronic properties and mechanical properties of bcc molybdenum and niobium

✍ Scribed by Zenghui Liu; Jiaxiang Shang


Book ID
107669139
Publisher
Nonferrous Metals Society of China
Year
2011
Tongue
English
Weight
477 KB
Volume
30
Category
Article
ISSN
1001-0521

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Electronic and optical properties of CuG
✍ Bin Xu; Xingfu Li; Zhen Qin; Congguo Long; Dapeng Yang; Jinfeng Sun; Lin Yi πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 593 KB

Electronic structure and optical properties of CuGaS 2 are calculated using the full potential linearized augmented plane wave plus local orbitals method. The calculated equilibrium lattice is in reasonable agreement with the experimental data. The electronic structures indicate that CuGaS 2 is a se