期刊
NANO LETTERS
卷 11, 期 5, 页码 2088-2091出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl200584f
关键词
Topological insulator; helical states; SOI; NEGF-DFT
类别
资金
- NSERC of Canada
- FQRNT of Quebec
- CIFAR
- National Natural Science Foundation of China [11047104]
We report density functional theory analysis of the electronic and quantum transport properties of Bi2Se3 topological insulator, focusing on the helical surface states at the Fermi level E-F. The calculated Dirac point and the tilt angle of the electron spin in the helical states are compared quantitatively with the experimental data. The calculated conductance near E-F shows a V-shaped spectrum, consistent with STM measurements. The spins in the helical states at E-F not only tilts out of the two-dimensional plane, they also oscillate with a 3-fold symmetry going around the two-dimensional Brillouin zone. The helical states penetrate into the material bulk, where the first quintuple layer contributes 70% of the helical wave functions.
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