Study on the electronic structure and the optical performance of YB6 by the first-principles calculations

Lihua Xiao; Yuchang Su; Hongyang Chen; Min Jiang; Sainan Liu; Zexing Hu; Ruifeng Liu; Ping Peng; Yuanlong Mu; Diya Zhu

doi:10.1063/1.3602854

AIP Advances (Jun 2011)

Study on the electronic structure and the optical performance of YB6 by the first-principles calculations

Lihua Xiao,
Yuchang Su,
Hongyang Chen,
Min Jiang,
Sainan Liu,
Zexing Hu,
Ruifeng Liu,
Ping Peng,
Yuanlong Mu,
Diya Zhu

Affiliations

Lihua Xiao: School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China;
Yuchang Su: School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China;
Hongyang Chen: School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China;
Min Jiang: School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China;
Sainan Liu: School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China;
Zexing Hu: School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China;
Ruifeng Liu: School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China;
Ping Peng: School of Materials Science and Engineering, Hunan University, Changsha, Hunan 410082, China
Yuanlong Mu: School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China;
Diya Zhu: School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China;

DOI: https://doi.org/10.1063/1.3602854
Journal volume & issue: Vol. 1, no. 2
pp. 022140 – 022140-7

Abstract

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The electronic structure and the optical performance of YB6 were investigated by first-principles calculations within the framework of density functional theory. It was found that the calculated results are in agreement with the relevant experimental data. Our theoretical studies showed that YB6 is a promising solar radiation shielding material for windows.

Published in AIP Advances

ISSN: 2158-3226 (Online)
Publisher: AIP Publishing LLC
Country of publisher: United States
LCC subjects: Science: Physics
Website: http://aipadvances.aip.org/

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