Electronic and Spin-Dependent Optical Properties of Fe-Adsorbed Armchair Silicene/Silicane Superlattices

被引：6
作者：
Deng, Jiao [1 ,2 ]
Li, Jin [1 ,2 ]
He, Chaoyu [1 ,2 ]
Ouyang, Tao [1 ,2 ]
Zhang, Chunxiao [1 ,2 ]
Tang, Chao [1 ,2 ]
Li, Zhenqing [1 ,2 ]
Tang, Yi [1 ,2 ]
Zhong, Jianxin [1 ,2 ]
机构：
[1] Xiangtan Univ, Hunan Key Lab Micronano Energy Mat & Devices, Xiangtan 411105, Hunan, Peoples R China
[2] Xiangtan Univ, Sch Phys & Optoelect Engn, Xiangtan 411105, Hunan, Peoples R China
来源：
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS | 2020年 / 14卷 / 01期
基金：
中国国家自然科学基金;
关键词：
enhanced optical absorption; spin polarization; superlattices; TOTAL-ENERGY CALCULATIONS; SILICENE; GRAPHENE; HETEROSTRUCTURES; SILICANE;
D O I：
10.1002/pssr.201900494
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The electronic and optical properties of Fe-adsorbed silicene/silicane superlattices (Fe-SSSLs) with armchair interface are studied by first-principles calculations. It is demonstrated that the SSSLs show spin polarization after adsorption of Fe atoms, and the bandgaps of different Fe-SSSLs exhibit oscillatory behaviors with the width of silicene region. Except for (6,4)-SSSL with a small total magnetic moment (about 0.06 mu(B) cell(-1)), all other Fe-SSSLs have a total magnetization moment of 2.00 mu(B) cell(-1), which comes from the 3d orbitals of Fe atom. Furthermore, there is a great enhancement of optical absorption in the infrared-light region for Fe-SSSLs, which is caused by the transition in a single spin channel due to Fe adsorption. The results show that Fe adsorption can tune the electronic and optical properties of armchair SSSLs effectively, which makes armchair Fe-SSSLs attractive candidates for spin-polarized photoelectric device applications.
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页数：6
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