Long-Range Coulomb Interactions in Surface Systems: A First-Principles Description within Self-Consistently Combined GW and Dynamical Mean-Field Theory

Hansmann P, Ayral T, Vaugier L, Werner P, Biermann S (2013)

Publication Type: Journal article

Publication year: 2013

Journal

Physical Review Letters American Physical Society

Book Volume: 110

Journal Issue: 16

DOI: 10.1103/PhysRevLett.110.166401

Abstract

Systems of adatoms on semiconductor surfaces display competing ground states and exotic spectral properties typical of two-dimensional correlated electron materials which are dominated by a complex interplay of spin and charge degrees of freedom. We report a fully ab initio derivation of low-energy Hamiltonians for the adatom systems Si(111) : X, with X = Sn, Si, C, Pb, that we solve within self-consistently combined GW and dynamical mean-field theory. Calculated photoemission spectra are in agreement with available experimental data. We rationalize experimentally observed trends from Mott physics toward charge ordering along the series as resulting from substantial long-range interactions. DOI: 10.1103/PhysRevLett.110.166401

Authors with CRIS profile

Philipp Hansmann Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien

Involved external institutions

École Polytechnique - Université Paris-Saclay FR France (FR) University of Fribourg / Universitè de Fribourg CH Switzerland (CH)

How to cite

APA:

Hansmann, P., Ayral, T., Vaugier, L., Werner, P., & Biermann, S. (2013). Long-Range Coulomb Interactions in Surface Systems: A First-Principles Description within Self-Consistently Combined GW and Dynamical Mean-Field Theory. Physical Review Letters, 110(16). https://dx.doi.org/10.1103/PhysRevLett.110.166401

MLA:

Hansmann, Philipp, et al. "Long-Range Coulomb Interactions in Surface Systems: A First-Principles Description within Self-Consistently Combined GW and Dynamical Mean-Field Theory." Physical Review Letters 110.16 (2013).

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