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National Institute of Technology Rourkela

International Union of Crystallography
Commission on Mathematical and Theoretical Crystallography

International Union of Crystallography Abdus Salam International Centre for Theoretical Physics Science and Engineering Research Board, (SERB) Department of Science and Technology, Government of India Council of Scientific and Industrial Research (CSIR), India Indian National Science Academy (INSA)
International Union of Crystallography Abdus Salam International Centre for Theoretical Physics Science and Engineering Research Board, (SERB) Department of Science and Technology, Government of India Council of Scientific and Industrial Research (CSIR), India Indian National Science Academy (INSA)

International School on Fundamental Crystallography and Workshop on Structural Phase Transitions
A Satellite Event of 24th IUCr Congress, 2017

30 August - 4 September 2017

Venue

Department of Physics & Astronomy, National Institute of Technology Rourkela, Sundargarh, Odisha-769008, INDIA.

About the School/Workshop

The main focus of the event is the symmetry analysis of structural phase transitions in functional materials like ferroics and multiferroics. The first four days would cover fundamental crystallographic topics related to space group symmetry and its representation in International Tables for Crystallography, symmetry relations between space groups including group-subgroup and group-supergroup relationships, structure descriptions and comparison, crystal structure relationships. The last two days would be devoted to brief introduction to space group representations and their application in the analysis of structural phase transitions. The lecture sessions will be accompanied by hands on practical sessions on description of space groups in International Tables for Crystallography, Vol. A and online training for determination of subgroups of space groups, crystal structure relations and pseudosymmetry, representations of space groups and symmetry mode analysis using Bilbao Crystallographic Server.

Speakers

Organizers

International Program Committee

Sponsors

Local Organizing Committe

.

Target Participants

Ph. D. scholars, Postdoctoral researchers, young faculty and R & D scientist s with a strong interest in the crystallography of structural phase transitions should plan to participate in the workshop. We are expecting nearly 50 participants for this workshop, out of which about 40 per cent of the participants will be from outside India. Some elementary background in Vector algebra, Matrix, Fundamental crystallography, Solid state physics and Group theory would be highly desirable prerequisite before moving to advanced topic planned for this workshop. Prospective participants are encouraged to make poster presentation in the workshop

Application Procedure

The application form duly filled by the participants, and after forwarded through current research adviser/supervisor/employer should be sent through e-mail (scanned copy) as well as post to the workshop coordinator. The application must be accompanied by a letter of support from the current research advisor/supervisor/employer. The letter of support should mention the potential benefit by attending the workshop, and the sources of funding available to the applicant to attend this workshop.

Timetable:

Morning session (4 hours):
Lectures 8:30 - 10:30; 11:00 - 13:00
Coffee break: 10:30 - 11:00

Lunch: 12:30 - 14:30

Afternoon session (4 hours):
Lectures: 14:30 - 16:30; 17:00 - 19:00
Coffee break: 16:30 - 17:00

Dinner: 19:00 - 20:30

School on Fundamental Crystallography

1st Day (30 August 2017) morning session

8:30 - 8:45 Opening of the school
8:45 - 10:30 (MIA) Revision: Matrix calculus applied to crystallography.
Isometries and crystallographic symmetry operations. Crystallographic point and space-group symmetry operations. Matrix-column presentation of symmetry operations. Symmetry elements: geometric elements and element sets.

11:00 - 13:00 (MN) Crystal patterns
Crystal lattice vs. crystal pattern and crystal structure. Symmetry directions in a lattice .Unit cells: primitive cells, multiple cells, conventional cells in 2D and 3D. Crystal families. Symmetry groups and types of symmetry in direct space: morphological symmetry; symmetry of physical properties; symmetry of lattices; symmetry of the unit cell content; symmetry of crystallographic patterns.

1st Day (30 August 2017) afternoon session

14:30 - 15:30 (MN) Crystallographic point groups
Stereographic projection and the morphology of crystals. Hermann-Mauguin symbols for point groups.

15:30 - 16:30 (BS) Crystallographic point groups (cont.)
Basic properties of groups (group axioms, order, multiplication tables, etc.). Subgroups, index, coset decompositions, Lagrange theorem.

17:00 - 19:00 (BS) Crystallographic point groups (cont.)
Group actions: conjugation and normalizers. Wyckoff positions for point groups. Relations of Wyckoff positions for a group-subgroup pair. Supergroups of point groups.
Overview of crystallographic point groups.

2nd Day (31 August 2017) morning session

8:30 - 10:30 (BS) Space groups - general introduction
Periodic structure of the crystalline matter: lattices and their basic properties. Structure of space groups: point groups of space groups. Coset decomposition of the space group with respect to its translation subgroup.

11:00 - 13:00 (MN) Space groups and their descriptions
Hermann-Mauguin symbols of space groups. Space-group diagrams. General and special positions, site-symmetry groups, crystallographic orbits.

2nd Day (31 August 2017) afternoon session

14:30 - 15:30 (BS) Space groups and their descriptions (cont.)
Symmorphic and non-symmorphic space groups. Classification of space groups.

15:30-16:30 (MN) Space groups and their descriptions (cont.)
Exercises on orthogonal projections of space groups 1.

17:00 - 19:00 (MN) Space groups and their descriptions (cont.)
Exercises on orthogonal projections of space groups 2.

3rd Day (1 September 2017) morning session

8:30 - 10:30 (MIA) Space groups and their description in International Tables for Crystallography, Vol. A: Matrix-column formalism in the description of space-group symmetry.
Transformations of the coordinate systems: change of origin and orientation. Conventional and non-conventional descriptions of space groups; ITA-settings.

11:00 - 12:00 (MIA) Bilbao Crystallographic Server
Computer databases and access tools to crystallographic symmetry data for space groups (International Tables for Crystallography, Volume A: Space-group symmetry): symmetry operations and their matrix-column presentation; geometric interpretation; general and special Wyckoff positions, site symmetry.
Conventional and non-conventional descriptions of space groups; ITA-settings

12:00 - 13:00 ) (MIA) Group-subgroup relations between space groups
Subgroups of space groups: types of subgroups of space groups.

3rd Day (1 September 2017) afternoon session

14:30 - 16:30 (MIA) Group-subgroup relations between space groups (cont.)
Maximal subgroups of space groups; series of isomorphic subgroups. Maximal subgroups in International Tables for Crystallography, Vol. A1. Hermann theorem.. Coset decomposition.

17:00 - 19:00 (MN) Group-subgroup relations between space groups (cont.)
Domain-structure analysis in structural phase transitions. Relations of Wyckoff positions for a group-subgroup pair.

4th Day (2 September 2017) (MIA) morning session

8:30 - 10:30 Group-subgroup relations between space groups (cont.)
Supergroups of space groups. Generation of space groups. Normalizers of space groups.
Hands-on practicals with the computer databases and computer tools in the study of group-subgroup relations of space groups in the Bilbao Crystallographic Server.

11:00 - 13:00 (MIA) Crystal-structure tools of the Bilbao Crystallographic Server
Crystal-structure descriptions. Descriptions of crystal structures with respect to different ITA settings of the space groups (the program SETSTRU). Equivalent crystal structure descriptions (the programs EQUIVSTRU and COMPSTRU). Crystal-structure descriptions compatible with symmetry reduction (the program TRANSTRU). Hands-on practicals with the computer tools for crystal-structure descriptions

4th Day (2 September 2017) afternoon session

14:30 - 16:30 (LS) Crystal-structure tools of the Bilbao Crystallographic Server (cont.)
Crystal-structure relationships. Family trees (Baernighausen trees) of crystal structures: aristotype (basic) and hettotypes (derivative) structures). Hands-on practicals with the program STRUCTURE RELATIONS.

17:00 - 19:00 (MIA) Crystal-structure tools of the Bilbao Crystallographic Server (cont.)
Structural pseudosymmetry. Pseudosymmetry search for new ferroics. Application in structural phase transitions. Hands-on practicals with the program PSEUDO.

Workshop on Structural Phase Transitions

5th Day (3 September 2017) morning session

8:30 - 10:30 (BS) General remarks on representations
Representations of discrete groups. Equivalence of representations. Unitary representations. Invariant subspaces and reducibility. Theorem of orthogonality. Characters of representations and character tables. Subduced and direct-product representations.

11:00 -13:00 (BS) Representations of point groups
Representations of Abelian groups: cyclic groups and direct products of cyclic groups. Character tables of representations of point groups.

5th Day (3 September 2017) afternoon session

14:30 - 16:30 (BS) Representations of space groups
Representation of the translation group. Symmetry in reciprocal space: Brillouin zones and wave-vector symmetry types. Star of a representation. Little groups and small representations. Full-group representations of space groups.

17:00 - 19:00 (MIA) Representations of space groups (cont.)
Representations of symmorphic and non-symmorphic groups. Subduced and direct-product representations of space groups. Hands-on practicals with the computer tools of representations of crystallographic groups of the Bilbao Crystallographic Server.

6th Day (4 September 2017) morning session

8:30 - 10:30 (DP) General introduction to phase transitions.
Phase-transition studies of advanced materials. Structural aspects of Ferroelectric, Antiferroelectric, Quantum Ferroelectric, Antiferrodistortive and Multiferroic Phase Transitions

11:00 -13:00 (DKP) Representation theory tools in the analysis of phase transitions. Primary and secondary order parameters; couplings and faintness index. Order parameter direction and isotropy subgroups. Group-theoretical formulation of the necessary conditions for second-order phase transitions.

6th Day (4 September 2017) afternoon session

14:30 - 16:30 (MIA) Symmetry-mode analysis
Symmetry-mode description of distorted structures. Primary and secondary modes. Hierarchy of modes. Ferroelectric and ferroeleastic phase transitions. Sequence of phase transitions.

17:00 - 18:30 (MIA) Symmetry-mode analysis (cont.)
Hands-on practicals with the computer tools of symmetry analysis of structural phase transitions of the Bilbao Crystallographic server (k-SUBGROUPS, AMPLIMODES).

18:30 - 19:00 Final farewell remarks: end of the school

Didactic material

See also the didactic material page.

Registration Fee

Registration fee included Conference Kit, Food (Breakfast, Lunch, and Dinner) during the workshop days. The registration fees were non-refundable.

Bursary Award

A number of travel and housing scholarships for students and young scientists (e.g. Ph. D. scholars, Postdoctoral researchers and recent graduates who have not yet secured permanent employment) were attributed from IUCr to support their attendance at the school.

Photo gallery

A selection of photos is avalable at the IUCr website.

Contact:

For inquiries about the scientific program, please contact . For all inquiries about the organisation, please contact:
Dr. Dillip K. Pradhan
Coordinator, Satellite School of 24th IUCr Congress, 2017
Department of Physics & Astronomy
National Institute of Technology Rourkela
Rourkela, Sundargarh, Odisha-769008, INDIA
Phone: +91-661-2462729, +91- 9437170561 (Cell Phone)
Email: .


The Organizers of the MaThCryst I}UCr 2015 Satellite have observed the basic policy of non-discrimination and affirmed the right and freedom of scientists to associate in international scientific activity without regard to such factors as citizenship, religion, creed, political stance, ethnic origin, race, colour, language, age or sex, in accordance with the Statutes of the International Council for Science. At this school workshop barriers did not exist which could have prevented the participation of bona fide scientists.

Last updated: 15 September 2017
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