New tight-binding pair potentials for mineral oxides Application to. beta. -cassiterite (110),. beta. -tridymite (10 1 0) and cristobalite (110)

New tight-binding pair potentials for mineral oxides [electronic resource] : Application to. beta. -cassiterite (110),. beta. -tridymite (10 1 0) and cristobalite (110)

Tight-binding, total-energy (TBTE) methods have successfully predicted surface atomic geometries for a variety of semiconducting and insulating materials that are well described by a nearest-neighbor model of interatomic interactions. However, little work has been done on distant-neighbor models, wh...

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Bibliographic Details
Online Access: Online Access
Corporate Author: Pacific Northwest Laboratory (Researcher)
Format: Government Document Electronic eBook
Language:English
Published: Washington, D.C. : Oak Ridge, Tenn. : United States. Department of Energy ; distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, 1992.
Subjects:
Cristobalite.
Molecular Structure.
Minerals.
Bond Lengths.
Oxides.
Surface Properties.
Surfaces.
Chalcogenides.
Dimensions.
Length.
Oxide Minerals.
Oxygen Compounds.
Crystal Structure.
Silicate Minerals.
Materials Science.

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Holdings details from Online
Call Number: E 1.99: conf-920402--17
E 1.99: conf-920402--17 Available

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