First-principles studies of phase stability and the structural and dynamical properties of metal hydrides

Technical Report · Wed Apr 01 00:00:00 EST 1992

DOI:https://doi.org/10.2172/7156405· OSTI ID:7156405

Chou, M Y

This report discusses the following topics: calculation of the Structural Properties of Yttrium; dynamical and pairing properties of {alpha}-YH{chi}; electronic and structural properties of YH{sub 2} and YH{sub 3}; phase diagram of hydrogen on Ru(000); peierls distortion in hexagonal YH{sub 3}; and study of hydrogen in niobium and palladium.

• Research Organization: Georgia Inst. of Tech., Atlanta, GA (United States). School of Physics
• Sponsoring Organization: USDOE; USDOE, Washington, DC (United States)
• DOE Contract Number: FG05-90ER45431
• OSTI ID: 7156405
• Report Number(s): DOE/ER/45431-2; ON: DE92040855
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
36 MATERIALS SCIENCE
RUTHENIUM
CHEMISORPTION
YTTRIUM HYDRIDES
PHASE STABILITY
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
PHASE DIAGRAMS
PROGRESS REPORT
CHEMICAL REACTIONS
DIAGRAMS
DOCUMENT TYPES
ELEMENTS
HYDRIDES
HYDROGEN COMPOUNDS
METALS
PLATINUM METALS
SEPARATION PROCESSES
SORPTION
STABILITY
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS
YTTRIUM COMPOUNDS
665000* - Physics of Condensed Matter- (1992-)
360602 - Other Materials- Structure & Phase Studies