Ab-initio spin dynamics in magnets

Session Q12 - DCMP: DENSITY FUNCTIONAL THEORY
Mixed session, Friday morning, March 24, 8:00
Room C1, San Jose Convention Center

[Q12.08] Ab-initio spin dynamics in magnets

V. P. Antropov,B. N. Harmon (Ames Laboratory,ISU,Ames,IA,USA),M. I. Katsnelson (Institute of Physics of Metals,Ekaterinburg,Russia),M. van Schilfgaarde (SRI International, Menlo Park, CA, USA)

We introduce a parameter-free method, within the context of the density functional framework, for the study of spin dynamics and the determination of the spin ground state of complex magnetic systems. An adiabatic equation of motion for the orientation and amplitude of local magnetic moments is presented, analogous to the Newtonian equation of motion for nuclei. As a first application of the method, we study the dynamics of magnetic structures of 3d-metals. Supported by U.S. Department of Energy through Contract No. W-7405-Eng-82 and ONR Contract N00014-89-K-0132.

Part Q of program listing