TY - JOUR
T1 - Photoemission and electronic structure of tungsten-based metallic glasses and alloys
AU - Engelhardt, M. A.
AU - Jaswal, S. S.
AU - Sellmyer, D. J.
N1 - Copyright:
Copyright 2015 Elsevier B.V., All rights reserved.
PY - 1991
Y1 - 1991
N2 - The structure and electronic density of states of intertransition-metal glasses of the form TxW1-x have been investigated, where T=Cu, Ni, and Co. The film samples were prepared by cosputtering in a chamber with a rapidly rotating, water-cooled substrate. Experiments included x-ray diffraction and ultraviolet photoemission at photon energies of 21.2 and 40.8 eV, and electronic-structure calculations were performed with a self-consistent linear combination of muffin-tin-orbitals method. For the calculations the structures were simulated by either disordered crystalline or amorphous clusters of 6064 atoms in a periodically extended supercell. The range of amorphous alloy formation was determined approximately for each alloy series, and it was found that this range was larger when the atomic-radii difference of the two elements is larger. In both the photoemission and theoretical results for the crystalline and amorphous Cu-W alloys the Cu 3d band is a distinct feature whose position is well reproduced by the calculations. In the Ni-W and Co-W alloys the 3d and 5d bands overlap significantly. In the case of crystalline Ni-W alloys, the theory gives a good representation of the observed occupied density of states.
AB - The structure and electronic density of states of intertransition-metal glasses of the form TxW1-x have been investigated, where T=Cu, Ni, and Co. The film samples were prepared by cosputtering in a chamber with a rapidly rotating, water-cooled substrate. Experiments included x-ray diffraction and ultraviolet photoemission at photon energies of 21.2 and 40.8 eV, and electronic-structure calculations were performed with a self-consistent linear combination of muffin-tin-orbitals method. For the calculations the structures were simulated by either disordered crystalline or amorphous clusters of 6064 atoms in a periodically extended supercell. The range of amorphous alloy formation was determined approximately for each alloy series, and it was found that this range was larger when the atomic-radii difference of the two elements is larger. In both the photoemission and theoretical results for the crystalline and amorphous Cu-W alloys the Cu 3d band is a distinct feature whose position is well reproduced by the calculations. In the Ni-W and Co-W alloys the 3d and 5d bands overlap significantly. In the case of crystalline Ni-W alloys, the theory gives a good representation of the observed occupied density of states.
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U2 - 10.1103/PhysRevB.44.12671
DO - 10.1103/PhysRevB.44.12671
M3 - Article
AN - SCOPUS:2242426807
VL - 44
SP - 12671
EP - 12679
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 23
ER -