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First‐principles optical spectra of low dimensional systems
Author(s) -
Chiodo Letizia,
Bruno Mauro,
Palummo Maurizia,
Monachesi Patrizia
Publication year - 2005
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200562242
Subject(s) - excited state , excitation , density functional theory , ab initio , nanowire , optical spectra , spectral line , semiconductor , materials science , statistical physics , physics , nanotechnology , computational physics , atomic physics , quantum mechanics
Low dimensional systems, such as organic molecules, nanotubes, nanowires, have attracted great interest in the last few years, due to their possible application in nanodevices. It is therefore important to describe accurately the electronic excitations, with highly reliable and efficient ab‐initio approaches. A standard technique for studying the ground‐state properties is the Density Functional Theory; however when electronic excited states are involved, the many‐body Green's functions theory is used for obtaining quasi‐particle excitation energies and optical spectra. In this paper we will present the current status of this theoretical and computational approach, showing results for a bulk semiconductor and for two different kinds of low dimensional systems. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)