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
Abstract
Read online
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.
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