文献类型：会议论文

英文题名：First-principles study of electronic, mechanical and optical properties of mixed valence SmB6

作者：Xiao, Lihua Su, Yuchang Peng, Ping Tang, Dongsheng

第一作者：肖立华

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

机构：[1] College of Physics and Information Science, Hunan Normal University, Changsha, China; [2] School of Materials Science and Engineering, Central South University, Changsha, China; [3] School of Materials and Metallurgical Engineering, Guizhou Institute of Technology, Guiyang, China; [4] School of Materials Science and Engineering, Hunan University, Changsha, China

第一机构：College of Physics and Information Science, Hunan Normal University, Changsha, China

通信机构：College of Physics and Information Science, Hunan Normal University, Changsha, China|贵州理工学院分析测试中心

会议论文集：4th International Conference on Advanced Composite Materials and Manufacturing Engineering 2017

会议日期：May 20, 2017 - May 21, 2017

会议地点：Xishuangbanna, Yunnan, China

语种：英文

外文关键词：Hardness - Samarium compounds - Density functional theory - Elastic moduli - Optical properties - Infrared devices

年份：2017

摘要：The mechanical and optical properties, electronic structure, and theoretical hardness of mixed valence SmB6 are calculated from first principles using density functional theory. The calculated results are in excellent agreement with previously reported experiments and theory. The band structures of SmB6 reveal that this material has the qualities of a semiconductor with a minimum gap. The elastic constants, bulk modulus, shear modulus and Young's moduli of SmB6 are obtained. The calculated results indicate that SmB6 is a brittle material. The calculated theoretical hardness is 24.00 GPa. The optical properties of SmB6 are discussed in detail. It is shown that SmB6 absorbs in the near infrared and visible light range. Therefore, SmB6 has the potential to be used as a heat-absorbing coating in order to shield objects from solar heat radiation. ? Published under licence by IOP Publishing Ltd.