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The generalized Debye-Waller factor for atoms in a twisted environment. I. Sites at the core of a double helix

The generalized Debye-Waller factor for atoms in a twisted environment. I. Sites at the core of a... Lattice sites which have a proper or improper subgroup of 222 as the site group may exhibit an anharmonic twisted local potential. The generalized Debye-Waller factor for atoms occupying such sites is derived. If the twist axis is fixed by symmetry considerations the approximation used needs, in addition to three harmonic parameters, one anharmonicity parameter, essentially the local pitch. In the most general case with no symmetry restrictions three Eulerian angles are needed in addition to the pitch. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Foundations of Crystallography International Union of Crystallography

The generalized Debye-Waller factor for atoms in a twisted environment. I. Sites at the core of a double helix

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The generalized Debye-Waller factor for atoms in a twisted environment. I. Sites at the core of a double helix

Prandl, W; Dunstetter, F
Acta Crystallographica Section A: Foundations of Crystallography , Volume 48 (2): 174 – Mar 1, 1992

Abstract

Lattice sites which have a proper or improper subgroup of 222 as the site group may exhibit an anharmonic twisted local potential. The generalized Debye-Waller factor for atoms occupying such sites is derived. If the twist axis is fixed by symmetry considerations the approximation used needs, in addition to three harmonic parameters, one anharmonicity parameter, essentially the local pitch. In the most general case with no symmetry restrictions three Eulerian angles are needed in addition to the pitch.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1992 International Union of Crystallography
ISSN
0108-7673
eISSN
1600-5724
DOI
10.1107/S0108767391009807
Publisher site
See Article on Publisher Site

Abstract

Lattice sites which have a proper or improper subgroup of 222 as the site group may exhibit an anharmonic twisted local potential. The generalized Debye-Waller factor for atoms occupying such sites is derived. If the twist axis is fixed by symmetry considerations the approximation used needs, in addition to three harmonic parameters, one anharmonicity parameter, essentially the local pitch. In the most general case with no symmetry restrictions three Eulerian angles are needed in addition to the pitch.

Journal

Acta Crystallographica Section A: Foundations of Crystallography – International Union of Crystallography

Published: Mar 1, 1992

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