Structural properties of. alpha. -quartz near the amorphous transition

Journal Article · Mon Dec 24 04:00:00 EST 1990 · Physical Review Letters; (USA)

DOI:https://doi.org/10.1103/PhysRevLett.65.3309· OSTI ID:5993467

Chelikowsky, J R; King, Jr, H E; Troullier, N; Luias Martins, J; Glinnemann, J ^[1]

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1. Department of Chemical Engineering and Materials Science, Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, MN (USA) Corporate Research Science Laboratories, Exxon Research and Engineering Company, Annandale, NJ (USA) Institute for Crystallography, Rheinisch-Westfaelische Technische Hochschule Aachen, D-5100 Aachen (Federal Republic of Germany)

Quartz undergoes a gradual transition with pressure from a crystalline to an amorphous state. The mechanism for this pressure-induced transition is not well understood. By combining new experimental pressure data and recently developed theoretical methods, we have determined the structural properties of {alpha}-quartz near and above this transition. We suggest that highly unfavorable interpolyhedral anion-anion distances, which occur at the transition pressure, play a key role in driving the transition.

• DOE Contract Number: FG02-89ER45391
• OSTI ID: 5993467
• Journal Information: Physical Review Letters; (USA), Journal Name: Physical Review Letters; (USA) Vol. 65:26; ISSN PRLTA; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360602* -- Other Materials-- Structure & Phase Studies
AMORPHOUS STATE
ANIONS
ATOMIC NUMBER
BINDING ENERGY
BOND ANGLE
BOND LENGTHS
CHALCOGENIDES
CHARGED PARTICLES
DATA
DIMENSIONS
ENERGY
HYBRIDIZATION
INFORMATION
IONS
LENGTH
MANY-BODY PROBLEM
MECHANICS
MINERALS
NUMERICAL DATA
ORDER-DISORDER TRANSFORMATIONS
OXIDE MINERALS
OXIDES
OXYGEN COMPOUNDS
PHASE TRANSFORMATIONS
PRESSURE DEPENDENCE
QUANTUM MECHANICS
QUARTZ
SILICON COMPOUNDS
SILICON OXIDES
SYMMETRY
THEORETICAL DATA
VARIATIONS