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Electronic and optical properties of group IV two‐dimensional materials
Author(s) -
Pulci O.,
Gori P.,
Marsili M.,
Garbuio V.,
Seitsonen A. P.,
Bechstedt F.,
Cricenti A.,
Del Sole R.
Publication year - 2010
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200982503
Subject(s) - graphane , excited state , density functional theory , silicon , tin , materials science , germanium , electronic structure , graphene , perturbation theory (quantum mechanics) , chemical physics , nanotechnology , computational chemistry , chemistry , atomic physics , physics , optoelectronics , quantum mechanics , metallurgy
Abstract The microscopic study of complex systems has reached a high level of accuracy that allows for a deep understanding of their structure, electronic properties, and optical spectra. The theoretical investigation of surfaces is nowadays routinely done within density functional theory, for ground state properties, and, with a larger computational load, within many‐body perturbation theory, for excited states properties. In this paper we present and discuss examples of calculations for group IV two‐dimensional systems such as a clean silicon surface, a tin–germanium interface, graphene, and graphane, pointing out the importance of a pertinent treatment of many‐body effects.