Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0002-9050-5445
Show others and affiliations
2006 (English)In: Brazilian journal of physics, ISSN 0103-9733, E-ISSN 1678-4448, Vol. 36, no 2 A, 447-450 p.Article in journal (Refereed) Published
Abstract [en]

Electronic band-edge structure and optical properties of Si 1-xGex are investigated theoretically emloying a full-potential linearized augmented plane wave (FPLAPW) method. The exchange-correlation potential in the local density approximation (LDA) is corrected by an on-site Coulomb potential (i.e., within the LDA.+USIC approach) acting asymmetrically on the atomic-like orbitals in the muffin-tin spheres. The electronic structure of the Si1-xGex is calculated self-consistently, assuming a Td symmetrized Hamiltonian and a linear behavior of the valence-band eigenfunctions for Si, SiGe, and Ge with respect to Ge composition x, assuming randomly alloyed crystal structure, i.e., a "virtual-crystal like" approximation (VGA). We show that this approach yields accurate band-gap energies, effective masses, dielectric function, and optical properties of Si1-xGex. We perform absorption measurements showing the band-gap energy for x < 0.25.

Place, publisher, year, edition, pages
2006. Vol. 36, no 2 A, 447-450 p.
Keyword [en]
FPLAPW/VCA/LDA+U, Optical properties, Si1-xGex
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-156326ISI: 000238575800058Scopus ID: 2-s2.0-33746073747OAI: oai:DiVA.org:kth-156326DiVA: diva2:766847
Conference
12th Brazilian Workshop on Semiconductor Physics (BWSP-12). Sao Jode dos Campos, BRAZIL. APR 04-08, 2005
Note

QC 20141128

Available from: 2014-11-28 Created: 2014-11-26 Last updated: 2017-12-05Bibliographically approved

Open Access in DiVA

No full text

Scopus

Authority records BETA

Persson, Clas Marcus

Search in DiVA

By author/editor
Persson, Clas Marcus
By organisation
Materials Science and Engineering
In the same journal
Brazilian journal of physics
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

urn-nbn

Altmetric score

urn-nbn
Total: 24 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf