Relation between electronic structure and T/sub c/ in binary and ternary molybdenum chalcogenides

Journal Article · Mon Sep 05 04:00:00 EDT 1977 · Phys. Rev. Lett.; (United States)

DOI:https://doi.org/10.1103/PhysRevLett.39.664· OSTI ID:7091888

Bullett, D W

Localized orbital calculations are presented for the electronic structure of Chevrel-phase molybdenum chalcogenides. Densities of states at the Fermi energy, N (E/sub F/), are found to depend sensitively on the modification in intercluster interactions because of lattice distortions introduced by the ternary component. Calculated N (E/sub F/) values in Mo/sub 6/S/sub 8/, PbMo/sub 6/S/sub 8/, Mo/sub 6/Se/sub 8/, and PbMo/sub 6/Se/sub 8/ are 0.5, 1.7, 1.1, and 0.9 states/(spin-Mo-atom eV), respectively, and show a strong correlation with T/sub c/. States near to E/sub F/ are strongly confined within Mo/sub 6/ octahedra.

• Research Organization: Cavendish Laboratory, Madingley Road, Cambridge CB3 OHE, England
• OSTI ID: 7091888
• Journal Information: Phys. Rev. Lett.; (United States), Journal Name: Phys. Rev. Lett.; (United States) Vol. 39:10; ISSN PRLTA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360603* -- Materials-- Properties
656102 -- Solid State Physics-- Superconductivity-- Acoustic
Electronic
Magnetic
Optical
& Thermal Phenomena-- (-1987)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BAND THEORY
CHALCOGENIDES
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
LEAD COMPOUNDS
LEAD SELENIDES
LEAD SULFIDES
MOLYBDENUM COMPOUNDS
MOLYBDENUM SELENIDES
MOLYBDENUM SULFIDES
PHYSICAL PROPERTIES
SELENIDES
SELENIUM COMPOUNDS
SULFIDES
SULFUR COMPOUNDS
SUPERCONDUCTIVITY
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
TRANSITION TEMPERATURE