학술논문
Unveiling the electronic, optical, and thermoelectrical properties of bulk and monolayer AlSiTe3 by first principles.
Document Type
Article
Source
Subject
*MONOMOLECULAR films
*DENSITY functional theory
*THERMOELECTRIC materials
*SEEBECK coefficient
*SOLAR technology
*SOLAR cells
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Language
ISSN
0301-0104
Abstract
Several titled and unclarified physical features of bulk and monolayer AlSiTe 3 were addressed by the first principles concept of density functional theory (DFT). Electronic band natures indicate direct semiconductor bandgaps of 1.24 eV for the bulk counterpart of AlSiTe 3 and 1.41 eV in its monolayer structure. What's more, the optical results of both structures of AlSiTe 3 suggest new substitute materials for high-dielectrics technology. Further, obtained photo conductivities of both counterparts imply handy materials for solar cell technology and efficient high-refractors for practical infrared (IR) purposes. In addition, both structures of AlSiTe 3 can be counted as useful optic absorbers in ultraviolet (UV) appliances. Obtained Seebeck coefficients of 2270 μV/K for bulk AlSiTe 3 and 2200 μV/K for its monolayer promotes the possible production of novel thermoelectric materials. [ABSTRACT FROM AUTHOR]