On the calculation of exchange interactions in metals

V. P. Antropov^a)

Condensed Matter Physics, Ames Laboratory, Ames, Iowa 50011

M. van Schilfgaarde, S. Brink, and J. L. Xu

 

ABSTRACT

 

We describe techniques to determine magnetic exchange parameters using modern band structure methods. The analytical and numerical implementations of the linear-response method are discussed. The applications of the presented technique have been done for [Math Processing Error]

ferromagnets. Our results point out difficulties in defining a pairwise exchange coupling for itinerant magnets, while for systems with localized moments the traditional adiabatic approach is mostly valid.

This work was carried out at the Ames Laboratory, which is operated for the (U.S.) Department of Energy by Iowa State University under Contract No. W-7405-82. This work was supported by the Director for Energy Research, Office of Basic Energy Sciences of the (U.S.) Department of Energy.

 

https://sci-hub.se/https://aip.scitation.org/doi/10.1063/1.2176392