Theoretical studies on the structures of insulating and metallic glasses: Annual progress report for period July 1, 1986-June 30, 1987

Technical Report · Sun Mar 01 04:00:00 EST 1987

OSTI ID:6670840

Ching, Wai-Yim

This is the third year of a three-year project to study the electronic and structural properties of glassy systems by means of large scale theoretical calculations. Major accomplishments covered in this report are: study of ground state properties of AlN and other wurtzite crystals within the local density functional theory; calculation of electronic structures of (Na/sub 2/O)/sub x/(SiO/sub 2/)/sub 1-x/, 0 less than or equal to x less than or equal to 0.33 glasses using previously constructed structural models with periodic boundaries; extensive study of electronic and magnetic properties of rare earth-iron-boron compounds; construction of periodic models of a-Ni, a-Fe, and a-Mg/sub x/Zn/sub 1-x/ metallic glasses; and development of computer programs for optical conductivity calculation in amorphous insulators and metallic glasses.

• Research Organization: Missouri Univ., Kansas City (USA). Dept. of Physics
• DOE Contract Number: FG02-84ER45170
• OSTI ID: 6670840
• Report Number(s): DOE/ER/45170-3; ON: DE87007867
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360102 -- Metals & Alloys-- Structure & Phase Studies
360602* -- Other Materials-- Structure & Phase Studies
AMORPHOUS STATE
DIELECTRIC MATERIALS
ELECTRONIC STRUCTURE
GLASS
MAGNETIC PROPERTIES
MATERIALS
METALLIC GLASSES
PHYSICAL PROPERTIES
RESEARCH PROGRAMS