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
First-principles elastic constants and phonons of delta-Pu
KTH, Superseded Departments, Materials Science and Engineering.ORCID iD: 0000-0003-2832-3293
Show others and affiliations
2004 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 70, no 14Article in journal (Refereed) Published
Abstract [en]

Elastic constants and zone-boundary phonons of delta-plutonium have been calculated within the density-functional theory. The paramagnetic state of delta-Pu is modeled by disordered magnetism utilizing either the disordered local moment or the special quasirandom structure techniques. The anomalously soft C-' as well as a large anisotropy ratio (C-44/C-') of delta-Pu is reproduced by this theoretical model. Also the recently measured phonons for delta-Pu compare relatively well with their theoretical counterpart at the zone boundaries.

Place, publisher, year, edition, pages
2004. Vol. 70, no 14
Keyword [en]
augmented-wave method, brillouin-zone, special points, phase-stability, ab-initio, plutonium, pseudopotentials, approximation, alloys, pressures
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-23854DOI: 10.1103/PhysRevB.70.144103ISI: 000224855600021Scopus ID: 2-s2.0-42749101815OAI: oai:DiVA.org:kth-23854DiVA: diva2:342553
Note
QC 20100525 QC 20110922Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Authority records BETA

Vitos, Levente

Search in DiVA

By author/editor
Vitos, LeventeRuban, Andrei V.
By organisation
Materials Science and Engineering
In the same journal
Physical Review B. Condensed Matter and Materials Physics
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 39 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