Phonon spectrum and bonding properties of Bi$_{2}$Se$_{3}$: Role of strong spin-orbit interaction

Details Phonon spectrum and bonding properties of Bi$_{2}$Se$_{3}$: Role of strong spin-orbit interaction Phonon spectrum and bonding properties of Bi$_{2}$Se$_{3}$: Role of strong spin-orbit interaction

2012-01-30

arxiv.org/abs/1201.6253v1

Appl. Phys. Lett. 100, 082109 (2012)

Physics

Condensed Matter

Materials Science

4 pages, 5 figures

Scientific paper

10.1063/1.3689759

Phonon dispersions of one typical three-dimensional topological insulator Bi$_{2}$Se$_{3}$ have been studied within density functional theory. The soft modes of two acoustic branches along the $Z$$-$$F$ and $\Gamma$$-$$F$ directions within the pure local density approximation will transit to show imaginary frequency oscillating after including the spin-orbit interaction (SOI). Similar phenomenon has also been observed for Bi$_{2}$Te$_{3}$. Besides, we have found that the weak van der Waals forces between two Se1 layers in Bi$_{2}$Se$_{3}$ are strengthened by turning on the SOI.

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