Tight-binding study of the electron-phonon interaction in bcc transition metals and alloys

Journal Article · Fri Apr 01 04:00:00 EST 1988 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.37.4944· OSTI ID:5370400

Fletcher, G; Fry, J L; Pattnaik, P C; Papaconstantopoulos, D A; Bacalis, N C

The tight-binding method has been used to study the electron-phonon interaction in several bcc transition metals and alloys. Slater-Koster fits to self-consistent, scalar-relativistic, augmented-plane-wave band calculations have been employed and scaling relations were used in determining gradients of the tight-binding matrix elements. The two-center integral parameters were adjusted for alloys in a way which explicitly accounts for the change in lattice constant. Results for 3d and 4d transition-metal elements are in good agreement with rigid-muffin-tin calculations. In addition, the electron-phonon coupling in Mo/sub x/Nb/sub 1-//sub x/ is evaluated from densities of states calculated by the coherent-potential approximation. The measured variation of the superconducting transition temperature as a function of x is reproduced well by this calculation.

• Research Organization: The University of Texas at Arlington, Arlington, Texas 76019
• OSTI ID: 5370400
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 37:10; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
656002 -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)
656100 -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALLOYS
BAND THEORY
BCC LATTICES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRON-PHONON COUPLING
ELEMENTS
ENERGY-LEVEL DENSITY
METALS
MUFFIN-TIN POTENTIAL
PHYSICAL PROPERTIES
POTENTIALS
SUPERCONDUCTIVITY
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT ALLOYS
TRANSITION ELEMENTS
TRANSITION TEMPERATURE