ISODISPLACE:: a web-based tool for exploring structural distortions

被引:1002
作者
Campbell, Branton J. [1 ]
Stokes, Harold T. [1 ]
Tanner, David E. [1 ]
Hatch, Dorian M. [1 ]
机构
[1] Brigham Young Univ, Dept Phys & Astron, Provo, UT 84602 USA
关键词
D O I
10.1107/S0021889806014075
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
ISODISPLACE is a new internet-server tool for exploring structural phase transitions. Given parent-phase structural information, it generates atomic displacement patterns induced by irreducible representations of the parent space-group symmetry and allows a user to visualize and manipulate the amplitude of each distortion mode interactively. ISODISPLACE is freely accessible at http://stokes.byu.edu/isodisplace.html via common internet browsers.
引用
收藏
页码:607 / 614
页数:8
相关论文
共 19 条
[1]  
[Anonymous], J APPL CRYST
[2]  
[Anonymous], 1967, TABLES IRREDUCIBLE R
[3]  
Bradley C. J., 1972, MATH THEORY SYMMETRY
[4]  
EYRING H, 1944, QUANTUM CHEMISTRY, P371
[5]   CLASSIFICATION OF TILTED OCTAHEDRA IN PEROVSKITES [J].
GLAZER, AM .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1972, B 28 (NOV15) :3384-&
[6]   CORRECTION [J].
HATCH, DM .
PHYSICAL REVIEW B, 1987, 36 (13) :7185-7185
[7]   CLASSIFICATION OF OCTAHEDRAL TILTING PHASES IN THE PEROVSKITELIKE A2BX4 STRUCTURE [J].
HATCH, DM ;
STOKES, HT .
PHYSICAL REVIEW B, 1987, 35 (16) :8509-8516
[8]   Group-theoretical analysis of octahedral tilting in perovskites [J].
Howard, CJ ;
Stokes, HT .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1998, 54 :782-789
[9]  
KOPSKY V, 1933, GROUP INFORM GI KOBO
[10]   Bilbao crystallographic server: Useful databases and tools for phase-transition studies [J].
Kroumova, E ;
Aroyo, MI ;
Perez-Mato, JM ;
Kirov, A ;
Capillas, C ;
Ivantchev, S ;
Wondratschek, H .
PHASE TRANSITIONS, 2003, 76 (1-2) :155-170