First-Principles Study of Structural and Electronic Properties of Layered B2CN Crystals

WU Qing-Hua; HU Qian-Ku; LUO Xiao-Guang; YU Dong-Li; LI Dong-Chun; HE Ju-Long

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First-Principles Study of Structural and Electronic Properties of Layered B2CN Crystals

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@@ Based on the hexagonal BN structure, six possible layered B2 CN structures are constructed. Their total energies,lattice constants as well as electronic properties are calculated using the ab initio pseudopotential density functional method within the local density approximation.

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《中国物理快报：英文版》 |2007年第1期|180-183|共4页
作者
WU Qing-Hua; HU Qian-Ku; LUO Xiao-Guang; YU Dong-Li; LI Dong-Chun; HE Ju-Long;
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State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

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中图分类物理学;
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First-Principles Study of Structural and Electronic Properties of Layered B2CN Crystals

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