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.
Pulci, O., Gori, P., Marsili, M., Garbuio, V., Seitsonen, A.p., Bechstedt, F., et al. (2010). Electronic and optical properties of group IV 2-dimensional materials. PHYSICA STATUS SOLIDI. A, APPLICATIONS AND MATERIALS SCIENCE, 207(2), 291-299 [10.1002/pssa.200982503].
Electronic and optical properties of group IV 2-dimensional materials
PULCI, OLIVIA;MARSILI, MARGHERITA;DEL SOLE, RODOLFO
2010-01-01
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.File | Dimensione | Formato | |
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