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Simple vertex correction improves GW band energies of bulk and two-dimensional crystals
Per S. Schmidt, Christopher E. Patrick, Kristian S. Thygesen
The GW self-energy method has long been recognized as the gold standard for quasiparticle (QP) calculations of solids in spite of the fact that the neglect of vertex corrections an…
Electron-phonon interaction and transport properties of metallic bulk and monolayer transition metal dichalcogenide TaS
Nicki Frank Hinsche, Kristian Sommer Thygesen
Transition metal dichalcogenides have recently emerged as promising two-dimensional materials with intriguing electronic properties. Existing calculations of intrinsic phonon-limit…
Strong plasmon-phonon splitting and hybridization in 2D materials revealed through a self-energy approach
Mikkel Settnes, J. R. M. Saavedra, Kristian S. Thygesen +3
We reveal new aspects of the interaction between plasmons and phonons in 2D materials that go beyond a mere shift and increase in plasmon width due to coupling to either intrinsic…
Electron-phonon coupling in the spin-split valence band of single layer WS
Nicki Frank Hinsche, Arlette S. Ngankeu, Kevin Guilloy +15
The absence of inversion symmetry leads to a strong spin-orbit splitting of the upper valence band of semiconducting single layer transition metal dichalchogenides such as MoS…
Quasiparticle band structure engineering in van der Waals heterostructures via dielectric screening
Kirsten T. Winther, Kristian S. Thygesen
The idea of combining different two-dimensional (2D) crystals in van der Waals heterostructures (vdWHs) has led to a new paradigm for band structure engineering with atomic precisi…