3R and 2H polytypes of MoS2: DFT and DFPT calculations of structural, optoelectronic, vibrational and thermodynamic properties

Coutinho, S.S.Barboza, Carlos AntonioTavares, M.S.Frazão, N.F.Moreira, E.Azevedo, David L.2022-10-262022-10-262017-12COUTINHO, S. S. et al. 3R and 2H polytypes of MoS 2 : DFT and DFPT calculations of structural, optoelectronic, vibrational and thermodynamic properties. Journal of Physics and Chemistry of solids, v. 111, p. 25-33, 2017. Disponível em: <https://www.sciencedirect.com/science/article/pii/S0022369717308144?via%3Dihub>. Acesso em: 04 abr. 2018.0022-3697https://repositorio.ufrn.br/handle/123456789/49634Acesso AbertoMoS2DFT calculationsOptoelectronic propertiesVibrational propertiesThermodynamic properties3R and 2H polytypes of MoS2: DFT and DFPT calculations of structural, optoelectronic, vibrational and thermodynamic propertiesarticlehttps://doi.org/10.1016/j.jpcs.2017.07.010