$GW$ study of pressure-induced topological insulator transition in group IV-tellurides

17 Mar 2020 Aguado-Puente Pablo Fahy Stephen Grüning Myrta

We calculate the electronic structure of the narrow gap semiconductors PbTe, SnTe and GeTe in the cubic phase using density functional theory (DFT) and the $G_0W_0$ method. Within DFT, we show that the band ordering obtained with a conventional semilocal exchange-correlation approximation is correct for SnTe and GeTe but wrong for PbTe... (read more)

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Categories


  • MESOSCALE AND NANOSCALE PHYSICS
  • STRONGLY CORRELATED ELECTRONS