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

Journal Article · Mon Jan 01 00:00:00 EST 1990 · 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), Vol. 125; ISSN 0022-3093
• Country of Publication: United States
• Language: English

Related Subjects

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