First-principles Studies of Topological Insulator Bi2Te3 Nanosheets
Extensive attention has recently been focused on a newly discovered quantum state of matter,the so-called topological insulator.The electronic structures of bulk and close-packed planes thin films from one to six layers of Bi2Te3 employing spin-orbit coupling (SOC)is studied by MedeA-VASP of firstprinciple within the framework of density functional theory.By the calculations,the energy gap of bulk band structure is 0.146 eV.For Bi2Te3 films,the results show that the gapless topological surface states emerge with the film thickness in Bi2Te3 and this characteristic is in good accrod with Bi2Te3 (111)films.
topological insulatorfirst-principleelectronic structurestopological surface states
国家科技期刊平台
NSTL
万方数据
