Electronic structure and sign reversal of the Hall coefficient in amorphous CuZr alloys

The authors present calculated densities of states (DOS) for CuxZr1-x amorphous alloys across the compositional range. They find that for x<80 at.% Cu there is no ordering and the Fermi level EF is dominated by the Zr 4d subband, while above 80 at.% Cu the local order increases and the DOS at EF abruptly decreases and is dominated by the s states. These changes in the DOS and the fact that the energy derivative of the self-energy changes its sign (implying a change of sign of the Fermi velocity) gives further insight into the experimentally observed sign reversal of the Hall coefficient which occurs for 80&les;x&les;85 at.% Cu

Published in:
Physical Review B, 33, 8, 5920-5923

 Record created 2007-03-26, last modified 2018-03-17

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