Regensburg 2019 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 58: Focus Session: Electron-Phonon Interactions II
O 58.6: Vortrag
Mittwoch, 3. April 2019, 16:30–16:45, H15
Nonadiabatic effects in electron and phonon spectra of electron-doped monolayer MoS2 from first-principles calculations — •peio garcia-goiricelaya1,2, jon lafuente-bartolome1,2, idoia g.gurtubay1,2, and asier eiguren1,2 — 1Materia Kondentsatuaren Fisika Saila, University of the Basque Country UPV/EHU, 48080 Bilbao, Basque Country, Spain — 2Donostia Interational Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián, Spain
We present a complete ab initio analysis of the electron-phonon interaction in the electron-doped monolayer MoS2, a system that is attracting growing interest, specially after the discovery of gate-induced spin-locking superconductivity [1]. Also recently, intriguing renormalized band structure has been observed in this system [2], which calls into question the exact mechanism by which electron-phonon interaction is so effective. Our calculations uncover the exceptional quasiparticle band-splitting structure. Directly connected to the renormalized electron structure, we complement the study by analyzing the nonadiabatic phonon spectrum, where we predict also strong vibrational branch renormalization for some modes. These results are illustrated with the help of simplified model calculations.
[1] Ye, J.T. et al. Superconducting dome in a gate-tuned band insulator. Science 338, 1193-1196 (2012).
[2] Kang, M. et al. Holstein polaron in a valley-degenerate two-dimensional semiconductor. Nature Materials 17, 676-680 (2018).