EFFECTS OF CHANGES IN THE TRANSLATIONAL SYMMETRY OF VRU ON THE ELECTRONIC DENSITY-OF-STATES

Effects of the increase of the translational period of the VRu crystal structure on the density of states (DOS) at the Fermi level are inves tigated by means of first-principles band structure calculations (LMTO -ASA method) by using different types of model structure. The results reveal that the DOS of equiatomic VRu at the Fermi level is very sensi tive to the changes in the translational symmetry of the crystal. More over, our calculations show that the increase of the translational per iod of the crystal structure is one reason for the considerable reduct ion of the DOS at the Fermi level giving one possible explanation for the observed drastic changes in physical quantities related to the DOS at the Fermi level. We have also investigated the effect of the obser ved crystal modulation parallel to the (100) plane of the normal tetra gonal structure of VRu.