Crystal structure, magnetic and electronic properties of CoxFe1-xMnP system

We present new results on the crystal structure, magnetic and electronic pr operties of the CoxFe1-xMnP series of compounds, X-ray diffraction experime nts were performed for x=0.525, x=0.65 and x=0.70. A jump both of the latti ce parameters and the unit cell volume was evidenced at the metamagnetic ph ase transition between antiferromagnetic and ferromagnetic states. Moreover the (P, T) magnetic phase diagrams for x=0.45, x=0.50 and x=0.525 were det ermined. Mossbauer spectroscopy experiments were pel performed for several a contents allowing to determine the hyperfine field, the isomer shift and the quadrupole splitting of the iron sites. Spin-polarised electronic struc ture calculations were performed using the Korringa-Kohn-Rostoker (KKR) met hod both for CoMnP and FeMnP, ill the ferromagnetic state. The calculated l ocal magnetic moments are 0.25 mu (B) (Co). 2.90 mu (B), (Mn) and 0.83 mu ( B) (Fe), 2.89 mu (B) (Mn) in CoMnP and FeMnP, respectively. The electronic structure of the CoxFe1-xMnP solid solutions (x=0.525 and x=0.70) were calc ulated using the coherent potential approximation (CPA). The calculated val ues : of the magnetic moments and hyperfine fields are compared with the ex perimental ones. (C) 2001 Elsevier Science B.V. All rights reserved.