BAND STRUCTURES OF SOME TRANSITION-METAL DICHALCOGENIDES .3. GROUP VI A - TRIGONAL PRISM MATERIALS
BAND STRUCTURES OF SOME TRANSITION-METAL DICHALCOGENIDES .3. GROUP VI A - TRIGONAL PRISM MATERIALS
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DOI：
10.1088/0022-3719/5/7/007
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发表时间：
1972-01-01
期刊：
影响因子：
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通讯作者：
MURRAY, RB
中科院分区：
文献类型：
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作者：
BROMLEY, RA;YOFFE, AD;MURRAY, RB
对于点。二见同上，第5卷，746(1972)。用半经验紧束缚方法在二维近似下计算了MoS2、MoS2、αMoTe2、WS2和WSe2的电子能带结构。在回顾了这些化合物的结构和物理性质之后，讨论了相关布里渊区的对称性，包括自旋的影响。用这种材料可以将计算的所有五种化合物的能带结构与实验数据相吻合。光学光谱的一些精细结构可以通过将工作扩展到三维来解释。也有可能解释一些计算没有明确符合的性质。
For pt. II see ibid., vol. 5, 746 (1972). The semiempirical tight binding method is applied to the calculation of the electronic band structures of MoS 2, MoSe 2, alpha-MoTe 2, WS 2 and WSe 2 in a two dimensional approximation. After a review of the structure and the physical properties of these compounds, the symmetry of the relevant Brillouin zones, including the effects of spin, is discussed. With this material one can fit the calculated band structures of all five compounds to the experimental data. Some of the fine structure of the optical spectra can be interpreted by extending the work into three dimensions. It is also possible to explain some of the properties to which the calculations were not fitted explicitly.