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
Role of correlation effects in the superconducting material: InV(6)S(8)
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
2011 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 99, no 22, 221904- p.Article in journal (Refereed) Published
Abstract [en]

In this letter, we present the high pressure studies to compute the structural parameters and electronic structure of InV(6)S(8), using the first principles density functional theory (DFT) and DFT+U methods. While LDA and GGA fail to give the correct electronic and structural properties, the DFT+U method performs well to reproduce the experimental observed quantities of InV(6)S(8). We analyze the electronic structures and nesting of InV(6)S(8) at different pressure values and show that the nesting of energy bands reduces with compression. Finally, we conclude that the Hubbard like correction is necessary to take into account the correlation effects, which are very important in the correct description of InV(6)S(8), by choosing the moderate value of U.

Place, publisher, year, edition, pages
2011. Vol. 99, no 22, 221904- p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-63271DOI: 10.1063/1.3664219ISI: 000298244500019Scopus ID: 2-s2.0-82955187829OAI: oai:DiVA.org:kth-63271DiVA: diva2:483509
Note
QC 20120125Available from: 2012-01-25 Created: 2012-01-23 Last updated: 2017-12-08Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Ahuja, Rajeev
By organisation
Applied Material Physics
In the same journal
Applied Physics Letters
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 26 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