Susceptibilities using first principles band structures II

✍ Scribed by J.P.A. Charlesworth; W. Yeung

• Book ID: 103939878
• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 653 KB
• Volume: 210
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/0921-4526(94)01106-b

✦ Synopsis

We have completed a program for the parallel calculation of the fully interacting static susceptibility from first principles LMTO band structures using methods and programs developed in previous papers. We present the results for the many-body enhanced static magnetic susceptibility z(q) for Pd and FCC y-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 which necessarily arise from an ab initio calculation of Z and give a more detailed discussion of the antiferromagnetic instabilities in FCC y-Mn.