Quasiparticle band structures and Fermi surfaces of bulk and monolayer NbS
arXiv:1807.08955 · doi:10.1103/PhysRevB.98.075120
Abstract
In this work we employ the approximation in the framework of the SternheimerGW method to investigate the effects of many-body corrections to the band structures and Fermi surfaces of bulk and monolayer NbS. For the bulk system, we find that the inclusion of these many-body effects leads to important changes in the band structure, especially in the low-energy regime around the Fermi level, and that our calculations are in good agreement with recent ARPES measurements. In the case of a free-standing monolayer NbS, we observe a strong increase of the screened Coulomb interaction and the quasiparticle corrections as compared to bulk. In this case we also perform calculations to include the effect of screening by a substrate. We report in detail the results of our convergence tests and computational parameters, to serve as a solid basis for future studies.
arXiv comment15 pages, 18 figures
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