PC software for crystallographic space groups and its application in symmetry analysis of domain structures

Autor:	R. Dirl, B. L. Davies, Václav Janovec, Z. Zikmund
Rok vydání:	1997
Předmět:	Phase transition Materials science business.industry Space group Pascal (programming language) Symmetry group Condensed Matter Physics Electronic Optical and Magnetic Materials Crystallography Software Algebraic form Microsoft Windows business computer Delphi computer.programming_language
Zdroj:	Ferroelectrics. 191:1-7
ISSN:	1563-5112 0015-0193
DOI:	10.1080/00150199708015615
Popis:	An integrated package of programs has been developed to investigate the structures and representations of crystallographic space groups. The programs, written in PASCAL and C, are made user friendly by additional programs using the Oakland C-scape Interface Management System. A Microsoft Windows version of the software is currently being developed using Borland Delphi. For a given phase transition the software identifies all domain states and finds inter alia (i) symmetry groups of all domain states in algebraic form as a conjugate subgroup stratum, (ii) all operations that transform a given domain state into another domain state, (iii) classes of crystallographically equivalent domain pairs, (iv) symmetry groups of ordered and unordered domain pairs. As an illustrative example software results for the triply commensurate charge-density-wave domain states in the 2H polytype TaSe 2 are presented.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4a4ddf97fe9d933c9a6f37593fa98412 https://doi.org/10.1080/00150199708015615 Zobrazit plný text záznamu