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U.W. Bangor - School of Informatics
Mathematics Preprints 1996

Computational Materials Science


96.10 : DAVIES, B.L., DIRL R., JANOVEC, V. & ZIKMUND, Z.

PC Software for Crystallographic Space Groups and its Application in Symmetry Analysis of Domain Structures

Published in:

Proceedings of the ISFD4-conference, Vienna, Austria (1996) Ferroelectrics 191 (1997) 209-215.


96.11 : DAVIES, B.L., DIRL R. & GOLDSMITH, B.

Canonical subgroup matrices for free abelian groups of finite rank:
Application to intersection and union subgroups

Abstract:

Given a free abelian group T of finite rank; canonical subgroup matrices *M are defined with respect to an arbitrary fixed basis of T, which uniquely determines all subgroups S of T of finite index. The use of these matrices allows the clasification of all subgroups of fixed finite index. An application is made in the construction of the intersection group and the union group of two arbitrary subgroups of finite index, and upper and lower bounds on the index of these groups are found. Physical applications occur for rank three in the systematic symmetry analysis of domain structures, which appear in structural phase transitions in solids.

Published in:

J. Phys. A:Math. Gen. 30 (1997) 3573 - 3583.


96.12 : DAVIES, B.L., DIRL R. & GOLDSMITH, B.

Classification of Subgroups of Free Abelian Groups

Published in:

in: Symmetry and Structural Properties of Condensed Matter
Eds. T. Lulek, W. Florek, B. Lulek
Proceedings of the 4th International SSPCM, Poznan, Poland (1996)
World Scientific, Singapore (1997) 505-508.


96.13 : DIRL R., ZEINER, P., DAVIES, B.L. & JANOVEC, V.

Space Group Double Coset Decompositions:
Applications to Phase Transitions

Published in:

Acta Cryst. A 53 (1997) 456-466.


96.14 : ZEINER, P., DIRL R. & DAVIES, B.L.

Critical Comments on the Infinite Volume Limit

Published in:

Symmetry and Structural Properties of Condensed Matter
Eds. T. Lulek, W. Florek, B. Lulek
Proceedings of the 4th International SSPCM, Poznan, Poland (1996)
World Scientific, Singapore (1997) 191-203.


96.15 : ZEINER, P., DIRL R. & DAVIES, B.L.

Analyticity of Bloch and Wannier Functions - Properties of Berry Phases

Published in:

Symmetry and Structural Properties of Condensed Matter
Eds. T. Lulek, W. Florek, B. Lulek
Proceedings of the 4th International SSPCM, Poznan, Poland (1996)
World Scientific, Singapore (1997) 67-80.


96.16 : ZEINER, P., DIRL R. & DAVIES, B.L.

Berry Phases for Electrons in Solids

Published in:

Proceedings of the 21th ICGTMP, Goslar, Germany (1996)
in: GROUP21: Physical Applications and Mathematical Aspects of Geometry, Groups, and Algebras, Vol.2,
Eds: H.D. Doebner, W. Scherer, C. Schulte
World Scientific, Singapore (1997) 932-938.


96.17 : DAVIES, B.L. & DIRL R.

Space group subgroups, coset decompositions, layer and rod symmetries

Published in:


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