Electronic structure of Nb-Mo alloys

Journal Article · Sat Dec 15 04:00:00 EST 1979 · Phys. Rev., B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.20.4864· OSTI ID:5662086

Colavita, E; Franciosi, A; Rosei, R; Sacchetti, F; Giuliano, E S; Ruggeri, R; Lynch, D W

Thermoreflectance measurements on Nb/sub x/Mo/sub 1hyphenx/ alloys (x=0.2, 0.5, 0.8) have been carried out in the 0.5--5.0 eV energy region. Augmented-plane-wave (APW) calculations for Nb at two different lattice parameters and for Mo, as well as coherent-potential-approximation calculations (CPA), have been carried out and have been used in the interpretation of the experimental results. Several optical transitions (..sigma../sub 1/(E/sub F/) ..-->.. ..sigma../sub 3/, G/sub 4/(E/sub F/) ..-->.. G/sub 1/, N/sub 2/ ..-->.. N'/sub 1/), have been identified, and their concentration dependence followed. These results contribute significantly toward putting the interpretation of the optical properties of Nb, Mo, and their alloys on a much more secure footing. In particular, it has been confirmed that while the lower conduction bands behave roughly as predicted by the rigid-band model, the higher-lying conduction bands show distinctly non-rigid-band-like behavior.

• Research Organization: Istituto di Fisica dell'Universita di Roma e Gruppo Nazionale di Struttura della Materia del CNR, Rome, Italy
• OSTI ID: 5662086
• Journal Information: Phys. Rev., B: Condens. Matter; (United States), Journal Name: Phys. Rev., B: Condens. Matter; (United States) Vol. 20:12; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ALLOY SYSTEMS
ALLOYS
BAND THEORY
BINARY ALLOY SYSTEMS
ELECTRONIC STRUCTURE
ENERGY-LEVEL TRANSITIONS
MOLYBDENUM ALLOYS
NIOBIUM ALLOYS
OPTICAL PROPERTIES
PHYSICAL PROPERTIES
QUANTITY RATIO
REFLECTIVITY
SURFACE PROPERTIES