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

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

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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://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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