Author： Polanco-Gonzalez Javier Carranco-Rodríguez Jesús Alfredo Enríquez-Carrejo José L. Mani-Gonzalez Pierre G. Domínguez-Esquivel José Manuel Ramos Manuel
Publisher： MDPI
E-ISSN： 1996-1944|10|2|147-147
ISSN： 1996-1944
Source： Materials, Vol.10, Iss.2, 2017-02, pp. : 147-147
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Abstract
We present a series of computer-assisted high-resolution transmission electron (HRTEM) simulations to determine Moiré patters by induced twisting effects between slabs at rotational angles of 3°, 5°, 8°, and 16°, for molybdenum disulfide, graphene, tungsten disulfide, and tungsten selenide layered materials. In order to investigate the electronic structure, a series of numerical simulations using density functional methods (DFT) methods was completed using Cambridge serial total energy package (CASTEP) with a generalized gradient approximation to determine both the band structure and density of states on honeycomb-like new superlattices. Our results indicated metallic transitions when the rotation approached 8° with respect to each other laminates for most of the two-dimensional systems that were analyzed.
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