The structure of vitreous and liquid GeSe sub 2 : A neutron diffraction study

Journal Article · Sun Dec 31 23:00:00 EST 1989 · Journal of Non-Crystalline Solids; (Netherlands)

DOI:https://doi.org/10.1016/0022-3093(90)90336-K· OSTI ID:7200856

Susman, S; Volin, K J; Montague, D G; Price, D L ^[1]

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1. Argonne National Lab., IL (United States)

High-quality neutron diffraction data are presented for GeSe{sub 2} glass and liquid. In GeSe{sub 2} glass at 10 K there is direct, clearly resolved evidence for edge-sharing of tetrahedra. C{sub Ge}(Ge) for edge-sharing tetrahedra measured in the glass (0.14), approaches that of the crystal (0.17). The Ge(Se{sub 4}) tetrahedron is the unit of short-range order in the glass, as it is in the crystal. The angle between neighboring corner-sharing tetrahedra in the glass is similar to that in the crystal. The tetrahedral building block persists in the liquid state at 1084 K, but it is broken up. The anomalous temperature dependence of the first sharp diffraction peak (FSDP) observed in the glass persists in the liquid. Experimentally, the height of the FSDP in the 1084 K liquid is 10% less than in the 10 K glass. The positions and the half-widths are identical. GeSe{sub 2} retains considerable intermediate-range order in the liquid state. A comparison with molecular dynamics computer simulations is also presented.

• OSTI ID: 7200856
• Journal Information: Journal of Non-Crystalline Solids; (Netherlands), Journal Name: Journal of Non-Crystalline Solids; (Netherlands) Vol. 125; ISSN JNCSB; ISSN 0022-3093
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602 -- Other Materials-- Structure & Phase Studies
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
CHALCOGENIDES
COHERENT SCATTERING
COMPARATIVE EVALUATIONS
COMPUTERIZED SIMULATION
DATA
DIFFRACTION
EVALUATION
EXPERIMENTAL DATA
FLUIDS
GERMANIUM COMPOUNDS
GERMANIUM SELENIDES
GLASS
INFORMATION
LIQUIDS
MATHEMATICAL MODELS
MOLECULAR STRUCTURE
NEUTRON DIFFRACTION
NUMERICAL DATA
SCATTERING
SELENIDES
SELENIUM COMPOUNDS
SIMULATION
TEMPERATURE DEPENDENCE
TEMPERATURE RANGE
TEMPERATURE RANGE 0000-0013 K
TEMPERATURE RANGE 0013-0065 K
TEMPERATURE RANGE 0065-0273 K
TEMPERATURE RANGE 0273-0400 K
TEMPERATURE RANGE 0400-1000 K
TEMPERATURE RANGE 1000-4000 K