Phonon dynamics in (Bi2Se3)m(Bi2)n infinitely adaptive series

被引：15
作者：
Zhang, JunJie [1 ]
Huang, GuiQin [1 ,2 ]
机构：
[1] Nanjing Normal Univ, Dept Phys, Nanjing 210023, Jiangsu, Peoples R China
[2] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China
来源：
SOLID STATE COMMUNICATIONS | 2014年 / 197卷
基金：
中国国家自然科学基金;
关键词：
Topological insulator; Spin-orbit coupling; Phonon dynamics; First-principles; TOPOLOGICAL-INSULATOR; 111; FILMS; SURFACE; BISMUTH; PHASES; BI2TE3;
D O I：
10.1016/j.ssc.2014.08.004
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The( Bi2Se3)m( Bi-2)n infinitely adaptive series derived from stacking hexagonal Bi-2 and Bi2Se3 blocks have been found to be topological insulators. Its structures and phonon dynamics are calculated from density functional perturbation theory by including spin-orbit coupling. Full phonon dispersion curves and phonon density of states with different ratio of m : n are calculated and the zone-center Raman active modes areanalyzed. The shift of phonon frequency of Raman modes observed experimentally for Bi-rich sample is reproduced well by our calculations and its origin is discussed. The large mismatch of phonon density of states between Bi2Se3 quintuple layer and Bi bilayer implies that thermoelectric performance for slightly Bi-rich sample might have a significant improvement due to the reduction of thermal conductance. (C) 2014 Elsevier Ltd. All rights reserved.
引用
收藏
页码：34 / 39
页数：6
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