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Structural and Electronic Properties, and Pressure-Induced Phase Transition of Layered C 5 N: A First-Principles Investigation

✍ Scribed by Hu, Qian-Ku; Wang, Hai-Yan; Wu, Qing-Hua; He, Ju-Long; Zhang, Guang-Lei


Book ID
119953278
Publisher
Institute of Physics
Year
2011
Tongue
English
Weight
1006 KB
Volume
28
Category
Article
ISSN
0256-307X

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First-principles studies of structural a
✍ Qianku Hu; Qinghua Wu; Haiyan Wang; Julong He; Guanglei Zhang πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 413 KB

## Abstract The structural and electronic properties of layered C~3~N compound have been studied using ab initio pseudopotential density‐functional method within the local‐density approximation. Total energy, lattice constant, band structure, and electron density of state are calculated. Among thre