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Ab initio optoelectronic properties of SiGe nanowires: Role of many-body effects

Source: Phys. Rev. B 82, 073305 (2010); doi:10.1103/PhysRevB.82.073305

Published 13 August 2010

PACS
  • 73.22.-f
    Electronic structure of nanoscale materials
  • 73.21.Hb
    Quantum wires (electron states/collective excitations)
  • 71.15.Mb
    Density functional theory, local density approximation, gradient and other corrections (condensed matter electronic structure)
  • 78.67.-n
    Optical properties of low-dimensional, mesoscopic, and nanoscale materials and structures
  • YEAR: 2010
PUBLICATION DATA
ISSN:
1553-9644 (online)
Publisher:
AIP is a member of CrossRef APS
Maurizia Palummo,1 Michele Amato,2 and Stefano Ossicini3
1European Theoretical Spectroscopy Facility (ETSF), CNR-INFM-SMC, Dipartimento di Fisica, Università di Roma, “Tor Vergata,” via della Ricerca Scientifica 1, 00133 Roma, Italy
2“Centro S3,” CNR-Istituto di Nanoscienze, Dipartimento di Fisica, Università di Modena e Reggio Emilia, via Campi 213/A, 41100 Modena, Italy
3European Theoretical Spectroscopy Facility (ETSF), “Centro S3,” CNR-Istituto di Nanoscienze, Dipartimento di Scienze e Metodi dell'Ingegneria, and Centro Interdipartimentale “En&Tech,” Università di Modena e Reggio Emilia, via Amendola 2 Pad. Morselli, 42100 Reggio Emilia, Italy

The self-energy and electron-hole interaction corrections to the one-particle approximation for SiGe nanowires have been calculated for different geometries and diameters. We show that, at fixed nanowire diameter and orientation, the self-energy corrections for the SiGe nanowires can be obtained as a weighted average, on the relative composition of one type of atom with respect to the total numbers of atoms in the unit cell, of the corrections for the pure (Si and Ge) nanowires, thus circumventing cumbersome computations and allowing a direct and practical determination of the electronic band gap. Moreover we show that particular geometrical configurations are at the origin of an enhancement of the optical oscillator strength that should be important for optoelectronic applications. ©2010 The American Physical Society
History: Received 27 April 2010; revised 24 July 2010; published 13 August 2010
Permalink: http://link.aps.org/abstract/PRB/v82/e073305
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