Electronic structure calculation of CuMn alloy
We have used a fully self-consistent multiple scatteringX α method within the local density formalism to study the charge distribution, bonding characteristics and the density of states in CuMn alloy. The charge distribution shows almost no ionic character but significant hybridization ofs andd states is observed near the Fermi level. The crystal field splittings, ionization energies and the excitation energies are calculated and compared with experiments wherever available.
KeywordsElectronic structure alloys
PACS Nos71.70 71.20
Unable to display preview. Download preview PDF.