Influence of lattice deformations on the electronic structure of the molybdenum disulfide monolayer

A. Krivosheeva, V. Shaposhnikov, V. Borisenko
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Abstract

The possibilities and conditions for modifying the band gap and the behavior of interband transitions under compressive and tensile strains in the crystal lattice of a molybdenum disulfide monolayer have been determined by theoretical modeling. It is shown that depending on the value and direction of the strains the compound may be a direct-gap or indirect-gap semiconductor, and the conditions for such transformations are determined. The results demonstrate a potential use of the molybdenum disulfide monolayer in nanoelectronic devices of new generation in which controlled transport of charge carriers is possible
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晶格变形对二硫化钼单层电子结构的影响
通过理论模拟确定了在压缩应变和拉伸应变作用下改变二硫化钼单层带隙和带间跃迁行为的可能性和条件。结果表明,根据应变的大小和方向,化合物可以是直接间隙半导体或间接间隙半导体,并确定了这种转变的条件。结果表明,二硫化钼单层在新一代纳米电子器件中具有潜在的应用前景,其中载流子的控制输运是可能的
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