文献类型：期刊文献

英文题名：Predictions of solar radiation shielding properties of KB6 from first principles

作者：Xiao, Lihua Ran, Jingyu Liu, Yike Wu, Jianming Qiu, Wei Lu, Fanghai Shao, Fang Peng, Ping

第一作者：肖立华

通信作者：Xiao, LH[1]|[14440d72ac22ae53efacd]肖立华;

机构：[1]Guizhou Inst Technol, Sch Mat & Met Engn, Guiyang 550003, Guizhou, Peoples R China;[2]Guizhou Inst Technol, Guizhou Special Funct Mat Collaborat Innovat Ctr, Guiyang 550003, Guizhou, Peoples R China;[3]Hunan Univ, Sch Mat Sci & Engn, Changsha 410082, Hunan, Peoples R China

第一机构：贵州理工学院材料与冶金工程学院

通信机构：corresponding author), Guizhou Inst Technol, Sch Mat & Met Engn, Guiyang 550003, Guizhou, Peoples R China.|贵州理工学院材料与冶金工程学院;贵州理工学院;

年份：2016

卷号：9

起止页码：1-5

外文期刊名：COMPUTATIONAL CONDENSED MATTER

收录：Scopus(收录号：2-s2.0-84996483302);WOS:【ESCI(收录号:WOS:000433740000001)】；

基金：This research was financially supported by Guizhou Province Science and Technology Department-Guizhou Institute of Technology Joint Fund (Guizhou Science and Technology Agency LH [2014]7357), the Natural Science Foundation of Guizhou Province (Guizhou Science and Technology Agency J [2014]2086, [2014]2085), the National Natural Science Fund (No. 21361007, 51465009), the Talents of high level scientific research fund in Guizhou Insititute of Technology (No. XJGC20140604, XJGC20131201) and the Scientific & Technological Innovation Talent Team of Guizhou Province (Qian Ke He Talent Team [2015]4008).

语种：英文

外文关键词：KB6; First-principles calculations; Elastic constants; Optical properties; Performance prediction

摘要：The elastic constants, structural, electronic and optical properties of KB6 are studied using first-principles calculations. The calculated structural parameters for KB6 are consistent with previously reported experimental results. The calculated absorption spectrum shows that KB6 is a promising near-infrared absorbing material. By combining the calculated reflectivity spectra and the calculated absorption spectra, the theoretical transmittance of compacted and coated films of KB6 is determined. These calculations reveal that KB6 could serve as a perfect solar radiation shielding material with high visible light transmittance. (C) 2016 The Authors. Published by Elsevier B.V.