Ändra sökning
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
High pressure structural phase transitions in Sr from ab initio calculations
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
2008 (Engelska)Ingår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 77, nr 17Artikel i tidskrift (Refereegranskat) Published
Abstract [en]

The pressure-induced phase transition in strontium, including the recent experimental observation of high-pressure phase Sr-IV, was investigated theoretically using the projector augmented wave method. We also concentrated on the experimentally observed beta-tin structure as this structure has never been found in any other alkaline-earth metals. The fcc-bcc phase transition was reproduced, but Sr-IV was found to be energetically more stable than the beta-tin structure at all pressures. By considering enthalpy, the sequence of the phase transitions along the pressure range is fcc -> bcc -> Sr-IV. With some detailed examination, we concluded that the beta-tin structure is either a metastable state or a coexisting phase, and further experimental investigation is suggested.

Ort, förlag, år, upplaga, sidor
2008. Vol. 77, nr 17
Nyckelord [en]
generalized gradient approximation, alkaline-earth metals, augmented-wave method, strontium, dynamics, ca
Identifikatorer
URN: urn:nbn:se:kth:diva-17606DOI: 10.1103/PhysRevB.77.174118ISI: 000256763800045Scopus ID: 2-s2.0-44449178872OAI: oai:DiVA.org:kth-17606DiVA, id: diva2:335650
Anmärkning
QC 20100525Tillgänglig från: 2010-08-05 Skapad: 2010-08-05 Senast uppdaterad: 2017-12-12Bibliografiskt granskad

Open Access i DiVA

Fulltext saknas i DiVA

Övriga länkar

Förlagets fulltextScopus

Sök vidare i DiVA

Av författaren/redaktören
Ahuja, Rajeev
Av organisationen
Materialvetenskap
I samma tidskrift
Physical Review B. Condensed Matter and Materials Physics

Sök vidare utanför DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetricpoäng

doi
urn-nbn
Totalt: 29 träffar
RefereraExporteraLänk till posten
Permanent länk

Direktlänk
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annat format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annat språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf