Band Calculations for MnZn and MnHg Fixing Local Spin Directions

元データ 1992-02-15 社団法人日本物理学会

概要

Both of the compounds of MIIZII and MnHg have a cubic structure of CsCl t)'pe,while the proposed spin alig?aments are different eacla otlaer: non-collinear and cot-linear ones for MnZn and MnHg, respectively. To investigate tlte naec1ta??isrn tlaat pro-duces the different spin alignments, total-energy band calculations h;tve been per-formed by the use of an excltange-correlation potentital total depends 011 each of localspin directions at atomic spheres. Our calculations give the results consistettt with ex-periment, and suggest that tlae hybridization between majority- and uninority-spinstates of the Mn-atom d band benefits the noxa-collinear aligxament.

著者

FUJII Shinpei Department of Physics, Faculty of Science, Kagoshima University
ISHIDA Shoji Department of Physics, Faculty of Science, Kagoshima University
ASANO Setsuro Institute of Physics, College of Arts and Sciences, University of Tokyo
Ishida Shoji Department Of Physics Faculty Of Science Kagoshima University
Fujii Shinpei Department Of Physics Faculty Of Science Kagoshima University
Asano Setsuro Institute For Solid State Physics The University Of Tokyo
Ishida Shuichi Division Of Cardiovascular Medicine Department Of Internal Medicine Ohmori Hospital Toho University
Fujii S Department Of Physics Faculty Of Science Kagoshima University

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