Electronic structure of In3Se4 and In3Te4 monolayers from ab-initio calculations
作者： Lamjed Debbichi , Olle Eriksson , Sébastien Lebègue
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摘要: First principles calculations have been used to calculate the interlayer binding energy, phonons frequencies, and electronic structure of In3X4 layered systems, with X = Se or Te. Using density functional theory corrected take into account van der Waals interactions, energy was found be approximate 41-44meV for In3Se4 53-58meV In3Te4. Moreover, absence imaginary frequencies in bandstructures demonstrates dynamical stability isolated layers. These facts suggest that layers In3Te4 could obtained by means exfoliation from bulk.
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