HNC theory of medium-range order in glasses

Conference · Sat Oct 01 04:00:00 EDT 1988

OSTI ID:6526031

Iyetomi, Hiroshi; Vashishta, P; Kalia, R K

The first sharp diffraction peak (FSDP) and its anomalous temperature dependence, characterizing medium-range order in molten and vitreous chalcogenides, are elucidated in terms of interatomic potentials using the integral-equation method. The systematic study of the size and charge-transfer effects in GeSe2 shows that the rationale behind the FSDP is cooperation of the excluded volume effect and the local charge neutrality leading to the conditional packing of atoms with formation of the tetrahedra, Ge(Se/sub 1/2/)4. The anomaly in the FSDP is ascribed to the increase of the number of density on cooling. 11 refs., 6 figs.

• Research Organization: Argonne National Lab., IL (USA)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 6526031
• Report Number(s): CONF-880726-7; ON: DE89005880
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
ASTATINE
BOND ANGLE
CHALCOGENIDES
COHERENT SCATTERING
CRYSTAL STRUCTURE
DIFFRACTION
ELECTRONIC STRUCTURE
ELEMENTS
GERMANIUM COMPOUNDS
GERMANIUM OXIDES
GERMANIUM SELENIDES
GLASS
HALOGENS
MOLECULAR STRUCTURE
NEUTRON DIFFRACTION
NONMETALS
OXIDES
OXYGEN COMPOUNDS
SCATTERING
SELENIDES
SELENIUM COMPOUNDS
SEMIMETALS
SILICON
SILICON COMPOUNDS
SILICON OXIDES
X-RAY DIFFRACTION