SUSCEPTIBILITIES USING FIRST-PRINCIPLES BAND STRUCTURES .2.

Citation
Jpa. Charlesworth et W. Yeung, SUSCEPTIBILITIES USING FIRST-PRINCIPLES BAND STRUCTURES .2., Physica. B, Condensed matter, 210(2), 1995, pp. 131-139
Citations number
26
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
09214526
Volume
210
Issue
2
Year of publication
1995
Pages
131 - 139
Database
ISI
SICI code
0921-4526(1995)210:2<131:SUFBS.>2.0.ZU;2-I
Abstract
We have completed a program for the parallel calculation of the fully interacting static susceptibility from first principles LMTO band stru ctures using methods and programs developed in previous papers. We pre sent the results for the many-body enhanced static magnetic susceptibi lity chi(q) for Pd and FCC gamma-Mn and discuss how the simple Stoner criterion and its extension can give an incorrect physical picture of magnetic instabilities. We discuss the important local field effects w hich necessarily arise from an ah initio calculation of chi and give a more detailed discussion of the antiferromagnetic instabilities in FC C gamma-Mn.