Excitation to defect-bound band edge states in twodimensional semiconductors and its effect on carrier transport

作     者：Dan Wang Dong Han Damien West Nian-Ke Chen Sheng-Yi Xie Wei Quan Tian Vincent Meunier Shengbai Zhang Xian-Bin Li 

作者机构：State Key Laboratory on Integrated OptoelectronicsCollege of Electronic Science and EngineeringJilin University130012 ChangchunChina State Key Laboratory of Luminescence and ApplicationsChangchun Institute of OpticsFine Mechanics and PhysicsChinese Academy of Sciences130033 ChangchunChina Department of PhysicsApplied Physics&AstronomyRensselaer Polytechnic InstituteTroyNY 12180USA College of Chemistry and Chemical EngineeringChongqing UniversityHuxi Campus401331 ChongqingChina 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2019年第5卷第1期

页      面：1070-1075页

核心收录：

学科分类：07[理学] 070202[理学-粒子物理与原子核物理] 0702[理学-物理学] 

基　　金：Work in China was supported by National Natural Science Foundation of China(No.11874171,No.11504368,No.61775077,and No.11704111) D.W.and S.Z.were supported by the Department of Energy under Grant No.DE-SC0002623 W.Q.T.thanks support from the Open Project of Key Laboratory of Polyoxometalate Science of Ministry of Education(NENU)and State Key laboratory of Supramolecular Structure and Materials(JLU)(No.SKLSSM201818) 

主　　题：defect semiconductors states 

摘      要：The ionization of dopants is a crucial process for electronics,yet it can be unexpectedly difficult in two-dimensional materials due to reduced screening and *** first-principles calculations,here we propose a dopant ionization process for twodimensional semiconductors where charge carriers are only excited to a set of defect-bound band edge states,rather than to the true band edge states,as is the case in *** defect-bound states have small enough ionization energies but large enough spatial *** a modest defect density,carriers can transport through band by such states.