Magnetic and electronic structures of PdMnGe compound investigated by neutron diffraction and band structure calculations

[摘要] The electronic and magnetic properties of the hexagonal PdMnGe (P (6) over bar 2 m) are investigated both experimentally and theoretically. The magnetic structure is determined by bulk magnetization and powder neutron diffraction experiments. PdMnGe is a pure ferromagnet below T-C = 541 K. At 4.2 K, the saturated magnetic moment and local magnetic moment on Mn are mu(sat) = 3.5 mu(B) and mu(Mn) = 3.7 mu(B), respectively. Electronic structure calculations on PdMnGe are performed by the Korringa-Kohn-Rostoker method within the local spin density framework. A strong polarization of bands (mu(tot) = 3.25 mu(B)) is related to the local magnetic moment found on Mn atoms (mu(Mn) = 3.42 mu(B)). Both experiments and band theory exhibit no magnetic moment on the Pd site, while a considerable value of a Fermi contact hyperfine field (B-hf = 281 kG) is seen on this atom using the KKR method. (C) 1999 Elsevier Science B.V. All rights reserved.

[发布日期] 1999-12-01

[关键词] magnetic properties;band structure calculations