The electronic and magnetic structure of the Cl5 compounds ZrZn2 and TiBe2 has been determined by means of self-consistent spin-polarized LMTO band calculations. The spin-densities and neutron magnetic form factors are compared with neutron scattering data for ZrZn1.9 and TiBe1.8Cu0.2. The moments are found to reside almost entirely on the Zr/Ti atoms, and are found to be 0.14 and 0.21 μB per formula unit respectively.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)