On the electronic structure of transition-transition metal glasses
R H Fairlie; W M Temmerman; B L Gyorffy; R H Fairlie; H.H. Wills Phys. Lab., Univ. of Bristol, Bristol, UK; W M Temmerman; H.H. Wills Phys. Lab., Univ. of Bristol, Bristol, UK; B L Gyorffy; H.H. Wills Phys. Lab., Univ. of Bristol, Bristol, UK
Журнал:
Journal of Physics F: Metal Physics
Дата:
1982-08-01
Аннотация:
By solving the Schrodinger equation exactly for representative clusters of nonoverlapping spherically symmetric potential wells, designed to describe one-electron potentials in metallic glasses, the authors have studied the electronic structure of Pd<sub>c</sub>Zr<sub>1-c</sub>, Fe<sub>c</sub>Zr<sub>1-c</sub>, Co<sub>c</sub>Zr<sub>1-c</sub>, Ni<sub>c</sub>Zr<sub>1-c</sub> and Cu<sub>c</sub>Zr<sub>1-c</sub> with c approximately 0.3. The authors' clusters were selected to display the significance of both positional and chemical order. Their results suggest that the latter is the more important effect as far as the electronic states are concerned. They found that the nonselfconsistent potentials, constructed by overlapping atomic charge densities and taking the exchange interaction into account by using the Slater approximation ( alpha =1), gave rise to a 'band structure' consistent with the measured photoemission and soft X-ray spectra.
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