SwePub
Sök i SwePub databas

  Extended search

Träfflista för sökning "id:"swepub:oai:DiVA.org:liu-104759" "

Search: id:"swepub:oai:DiVA.org:liu-104759"

  • Result 1-1 of 1
Sort/group result
   
EnumerationReferenceCoverFind
1.
  • Dahlqvist, Martin, et al. (author)
  • Magnetic ground state of Cr2AlC, Cr2GaC, and Cr2GeC from first-principles interplay of spin configurations and strong electrons correlation
  • 2014
  • Other publication (other academic/artistic)abstract
    • We have studied the interplay between spin configuration and electron correlations approximations as well as their influence on calculated lattice parameters, magnetic moments, and bulk modulus of the nanolaminated MAX phase materials Cr2AlC, Cr2GaC, and Cr2GeC. By considering non-, ferro- and, and five different antiferromagnetic configurations, we show the importance of including a broad range of magnetic states in search for the ground state. Our calculations show that when electron correlation is treated on the level of the generalized gradient approximation or with an additional Hubbard U interaction term up to a value of 1 eV, the magnetic ground state of Cr2AC (A=Al, Ga, Ge) is in-plane antiferromagnetic with finite Cr local moments and calculated lattice parameters and bulk modulus close to experimentally reported values.
  •  
Skapa referenser, mejla, bekava och länka
  • Result 1-1 of 1
Type of publication
other publication (1)
Type of content
other academic/artistic (1)
Author/Editor
Alling, Björn (1)
Rosén, Johanna (1)
Dahlqvist, Martin (1)
University
Linköping University (1)
Language
English (1)
Year
2014 (1)

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

 
pil uppåt Close

Copy and save the link in order to return to this view