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. [1]. [1] D. Koudela et al., Phys. Rev. B vol.77, 024411 (2008).