English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

Ground-state electronic structure calculations of the multiple spin-density-wave state in γ-Fe

MPS-Authors
/persons/resource/persons184631

Kakehashi,  Y.
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

External Resource
No external resources are shared
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)
There are no public fulltexts stored in PuRe
Supplementary Material (public)
There is no public supplementary material available
Citation

Kakehashi, Y., Jepsen, O., & Kimura, N. (2002). Ground-state electronic structure calculations of the multiple spin-density-wave state in γ-Fe. Physical Review B, 65(13): 134418. Retrieved from http://ojps.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=PRBMDO000065000013134418000001&idtype=cvips&gifs=yes.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002B-37B4-C
Abstract
The electronic structure calculations of a noncollinear multiple spin-density-wave (MSDW) state in gamma-Fe, which was found in a recent molecular-dynamics calculation, have been performed on the basis of the first-principles tight-binding linear muffin-tin orbital method and the generalized gradient approximation potential. The calculated MSDW state is shown to be dominated by 3 Q waves with wave number Q=0.6 in units of 2pi/a, a being the fcc lattice constant. The secondary waves are created so as to suppress the amplitude fluctuations of local magnetic moments. It is found that the energy of the MSDW state is lower than that of the single-Q helical state with Q=0.6 at any volume due to the dip of the density of states at the Fermi level. From the energy comparison of various magnetic structures, it is concluded that the MSDW state may be stabilized in the region 6.8<a<7.0 a.u., while the MSDW state characterized by Q=1.0 seems to be stabilized below a=6.8 a.u.