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lab:research:tmdichal-02 [2014/12/31 15:44] seoung-hun_kang |
lab:research:tmdichal-02 [2014/12/31 15:45] (current) seoung-hun_kang |
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==== Stacking Configurations of MX$_2$ ==== | ==== Stacking Configurations of MX$_2$ ==== | ||
- | We investigate the effect of the interlayer interaction on the structural and electronic properties of layered MX$_2$(M=Ti, Zr, Hf, Cr, Mo, W) structures with van der Waals interaction. We calculate the relative stability of various layer-layer stacking configurations determined by considering relative positions and orientations between neighboring layers. It is found that an intriguing coupling effect between stacking and electronic structure. Some stacking configuration with a lager inter-layer distance exhibit larger electronic band gap than the other structures. | + | We investigate the effect of the interlayer interaction on the structural and electronic properties of layered MX<sub>2</sub>(M=Ti, Zr, Hf, Cr, Mo, W) structures with van der Waals interaction. We calculate the relative stability of various layer-layer stacking configurations determined by considering relative positions and orientations between neighboring layers. It is found that an intriguing coupling effect between stacking and electronic structure. Some stacking configuration with a lager inter-layer distance exhibit larger electronic band gap than the other structures. |