本論文利用三種原子軌域的緊束縛模型來討論二硫化鉬及二硒化鎢等二維材料的電子能態，使用緊束縛模型模擬結果和DFT的預測值相近，也和實驗的觀測值吻合。除此之外，我們也討論了二硫化鉬奈米帶的電子能態和奈米帶寬度的變化關係。接著將電子能態的結果應用到狀態密度的計算，結果和DFT的預測值也是相近。;In this paper, the tight-binding models of three atomic orbitals are used to discuss the electronic energy states of two-dimensional materials such as molybdenum disulfide and tungsten diselenide. . In addition, we also discussed the relationship between the electronic energy state of MoS2 nanoribbons and the nanoribbon width. The results of the electronic energy states are then applied to the calculation of the density of states, and the results are also similar to the predicted values of DFT.
