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- W2913448013 abstract "Group IV monochalcogenides M X (M = Ge, Sn; X = S, Se)-semiconductor isostructure to black phosphorene-have recently emerged as promising two-dimensional materials for ultrathin-film photovoltaic applications owing to the fascinating electronic and optical properties. Herein, using first-principles calculations, we systematically investigate the orbital contribution electronic properties, angular and strain dependence on the carrier effective masses of monolayer M X . Based on analysis on the orbital-projected band structure, the VBMs are found to be dominantly contributed from the p z orbital of X atom, while the CBM is mainly dominated by p x or p y orbital of M atom. 2D SnS has the largest anisotropy ratio due to the lacking of s orbital contribution which increases the anisotropy. Moreover, the electron/hole effective masses along the x direction have the steeper tendency of increase under the uniaxial tensile strain compared to those along y direction." @default.
- W2913448013 created "2019-02-21" @default.
- W2913448013 creator A5008659641 @default.
- W2913448013 creator A5019283275 @default.
- W2913448013 creator A5062052894 @default.
- W2913448013 date "2019-02-12" @default.
- W2913448013 modified "2023-10-17" @default.
- W2913448013 title "First-Principles Calculations of Angular and Strain Dependence on Effective Masses of Two-Dimensional Phosphorene Analogues (Monolayer α-Phase Group-IV Monochalcogenides MX)" @default.
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- W2913448013 doi "https://doi.org/10.3390/molecules24030639" @default.
- W2913448013 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6384618" @default.
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- W2913448013 hasPublicationYear "2019" @default.
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