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First-principle calculation on structures and properties of diamond-like B3C10N3 compound

✍ Scribed by Dongxu Li; Dongli Yu; Julong He; Bo Xu; Zhongyuan Liu; Yongjun Tian

Book ID
116604968
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
415 KB
Volume
481
Category
Article
ISSN
0925-8388

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## 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