Powered by OpenAIRE graph
Found an issue? Give us feedback
addClaim

Total Energy Calculation for Spin-Density-Wave Chromium

Authors: Kunitomo Hirai;

Total Energy Calculation for Spin-Density-Wave Chromium

Abstract

The total energy of the spin-density-wave state in chromium is calculated by means of the first-principles Korringa-Kohn-Rostoker Green function method within the framework of the local spin density functional formalism. The calculation for the case of the experimental lattice constant shows that the total energy per atom becomes the lowest at a wave vector close to the observed ordering wave vector of spin-density-wave chromium. The calculation with varying the lattice constant shows that the total energy of the spin-density-wave states does not become minimum against the change of the lattice constant, and it may be concluded that the theoretical ground state at the total energy minimum for chromium is a nonmagnetic state, though on the verge of a transition to a spin-density-wave state. The effect of the periodic lattice distortion due to the charge density wave, which usually accompanies the spin density wave, on the total energy is further investigated.

Related Organizations
  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    17
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Top 10%
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
17
Average
Top 10%
Top 10%
Related to Research communities
Upload OA version
Are you the author of this publication? Upload your Open Access version to Zenodo!
It’s fast and easy, just two clicks!