Investigation of structural and magnetic properties of LaCo5 under pressure

We report a joint experimental and theoretical investigation of the crystal structure parameters and magnetic moments of LaCo5 under hydrostatic compression. Theoretical predictions were made using density-functional-based electronic structure methods; special attention was paid to the dependence of the results on the choice of exchange-correlation functional. We comment on the degree to which our predictions match those of our measurements and relate both to earlier studies of Koudela et al..

This work is performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.