论文标题
单层钼钨合金二硫化物的孔迁移计算
Hole Mobility Calculation for Monolayer Molybdenum Tungsten Alloy Disulfide
论文作者
论文摘要
对于单层钼钨合金二硫化物（即$ \ Mathrm {Mo} _ {1-x} \ Mathrm {w} _x _x \ Mathrm {s} _2 $），采用了使用高阶非核心效应的简单带模型（即$ \ mathrm {Mo} _ {1-x} _ {1-x} _ {1-x} _ {1-x} _ {1-x} _ {1-x} _ {1-x} _ {1-x} _ {1-x} _2 $）。考虑$ 2 \ times2 $ SuperCell用于研究单层合金$ \ MATHRM {MATHRM {MA} _ {1-x} \ MATHRM {w} _X \ MATHRM {s} _2 $和一个简单效果（I.E.，EMA）模型的单层合金结构（Mathrm {1- x} \ Mathrm {w} _x \ Mathrm {i.e.e。为了计算相应的孔迁移率。此外，我们研究了$ \ mathrm {mo} _ {1-x} \ Mathrm {w} _x \ Mathrm {S} _2 $的合金散射效应。
A simple band model using higher order non-parabolic effect was adopted for single layer molybdenum tungsten alloy disulfide (i.e., $\mathrm{Mo}_{1-x}\mathrm{W}_x\mathrm{S}_2$). The first-principles method considering $2\times2$ supercell was used to study band structure of single layer alloy $\mathrm{Mo}_{1-x}\mathrm{W}_x\mathrm{S}_2$ and a simple band (i.e., effective mass approximation model, EMA) model with higher order non-parabolic effect was used to fit the first-principle band structures in order to calculate corresponding the hole mobility. In addition, we investigate the alloy scattering effect on the hole mobility of $\mathrm{Mo}_{1-x}\mathrm{W}_x\mathrm{S}_2$.
