Accession Number:

ADA056689

Title:

Electronic Structure of Metal and Alloy Surfaces.

Descriptive Note:

Interim rept.,

Corporate Author:

MASSACHUSETTS INST OF TECH CAMBRIDGE DEPT OF MATERIALS SCIENCE AND ENGINEERING

Personal Author(s):

• Johnson,K. H.
• Yang,C. Y.
• Vvedensky,D.
• Messmer,R. P.
• Salahub,D. R.

Report Date:

1978-07-14

Pagination or Media Count:

24.0

Abstract:

The electronic structure of metal and alloy surfaces is central to the understanding of the physical and chemical properties of such surfaces. However, progress in calculating surface electronic structure from first principles has lagged behind that of calculating bulk band structure because of the difficulty of applying the conventional band description at an interface. The theoretical study of the electronic structure of finite metallic and bimetallic clusters representing local surface and bulk atomic configurations, including small particles, has the advantage that it can bridge the gap between solid-state band theory and molecular quantum chemistry, thereby permitting the elucidation of surface electronic structure as a function of local atomic arrangement and composition.

Descriptors:

• *METALS
• *ALLOYS
• QUANTUM CHEMISTRY
• ORGANOMETALLIC COMPOUNDS
• ATOMIC ORBITALS
• BULK MATERIALS
• SURFACE PROPERTIES
• ELECTRONIC STATES
• MOLECULAR STRUCTURE
• CATALYSIS
• BAND SPECTRA
• SOLID STATE CHEMISTRY
• SPIN STATES

Subject Categories:

• Metallurgy and Metallography

Distribution Statement:

APPROVED FOR PUBLIC RELEASE