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International Union of Crystallography
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MaThCryst forthcoming activities
MACSMIN 2024 hybrid conference, September 2024, Liverpool (UK)
Thirteenth basic training course on symmetry and group theory, July 2025, Tsukuba (Japan)
MaThCryst recent activities
Seventh MaThCryst School in Latin America, August 2024, Lima (Peru)
Twelth basic training course on symmetry and group theory, July 2024, Tsukuba (Japan)
Third Shanghai International Crystallographic School, June 2024, Shanghai (China)
Eleventh basic and second advanced training course on symmetry and group theory, July 2023, Tsukuba (Japan)
Summer School, June 2023, Nancy (France)
Tenth training course on symmetry and group theory, August 2022, Tsukuba (Japan)
2022 Spring Festival Crystallographic School and Workshop on Crystal-field Applications February 2022, Berijing (China)
Crystallography Online: Workshop on the use and applications of the structural and magnetic tools of the Bilbao Crystallographic Server January 2022, Leioa (Spain)
Mathematics and Computer Science for Materials Innovation, September 2021, online
Ninth training course on symmetry and group theory, September 2021, Tsukuba (Japan)
2021 SIAM Conference on Mathematical Aspects of Materials Science, May 2021, Bilbao (Spain)
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Shanghai International Crystallographic School and Workshop on chirality in solid state physics and quantum materials
International Center for Quantum and Molecular Structures
Shanghai University, Shanghai, China, 14-21 June 2024
The aim of the school was to provide an introduction to group theoretical methods and computational tools necessary for appropriate applications of symmetry properties in solid state material science. Special emphasis is given to tutorials on computational crystallography using the Bilbao Crystallographic Server (BCS) for the study of specific problems in solid state physics, like phase transitions and their symmetry-mode analysis, comparison between crystal structures, magnetic symmetry and its applications in the description of magnetic structures, etc. Special topics like chirality in solid state physics, continuous symmetry measures, chirality in magnetism, chiral phonons, chirality and relativity were discussed in the context of innovative materials.
The school is intended for scientists in Material Science, Solid State Physics and Crystallography in general and specifically for PhD students and young researchers interested in a deep and practical knowledge of group theory and crystallography applied in material science. The maximum number of participant is limited to 70.
Language
Official language of the School is English. No simultaneous interpretation was provided
Location
The school took place LeHu Hotel in Shanghai University (Baoshan Campus)
Lectures:
- Mois I. Aroyo, Condensed Matter Physics Department, University of the Basque Country, Spain
- J. Manuel Perez-Mato, Condensed Matter Physics Department, University of the Basque Country, Spain
- Massimo Nespolo, CRM2 laboratory, Université de Lorraine, France
- Branton J. Campbell, Department of Physics & Astronomy, Brigham Young University, USA
- R. Matthias Geilhufe, Chalmers Tekniska Högskola: Göteborg, Sweden
- Sang Cheong, Rutgers, The State University of New Jersey, USA
- Gustavo Aucar, Northeastern University of Argentin
- Lifa Zhang, Nanjing Normal University, China
- Lingyan Feng, Shanghai University, China
Timetable:
Morning session (4h):
Lectures 8:30 - 10:30; 11:00 - 13:00
Coffee break: 10:30 - 11:00
Lunch: 13:00 - 13:45
Afternoon session (4h):
Lectures: 14:30 - 16:30; 17:00 - 19:00
Coffee break: 16:30 - 17:00
Dinner: 19:00 - 20:30
Evening session (optional): 20:30 - 22:00
Program
Arrival Day (14 June 2024-Friday) - afternoon- 15:30 – 19:00 Arrival and registration of the participants.
- 19:00 – 20:30 Welcome Reception.
- 8:30 - 10:30 (MN) Revision 1: Crystallographic point groups. Basic properties of groups (group axioms, order, multiplication tables, etc). Subgroups, index, coset decompositions, Lagrange theorem. Concept of isomorphism and homomorphism. Group actions: conjugation and normalizers.
- 11:00 - 12:00 (MN) Revision 1 (cont.): Crystallographic point groups (cont).Wyckoff positions for point groups. Overview of crystallographic point groups and their Hermann-Mauguin symbols.
- 12:00 - 13:00 (MIA) Revision 2 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.
- 14:30 – 15:30 (MIA) Revision 2 Matrix calculus applied to crystallography (cont.)
- 15:30 - 16:30 (MIA) Revision 3: Representations of point groups. Representations of crystallographic groups: definition and basic properties. Irreducible and reducible representations.
- 17:00 - 19:00 (MIA) Revision 3: Representations of point groups (cont). Subduced and induced representations. Direct product representations. Database of Bilbao Crystallographic Server on point-group representations.
- 8:30 – 8:45 Opening of the school.
- 8:45 - 10:30 (MN) 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. Symmorphic and non-symmorphic space groups.
- Poster contributions-discussion during the coffee break.
- 11:00 - 12:00 (MN) Space groups – general introduction (cont). Classification of space groups.
- 12:00 – 13:00 (MN) Space groups and their descriptions. Symbols of space groups.
- 14:30 - 16:30 (MN) Space groups and their descriptions (cont). Description of space-group symmetry operations. Space-group diagrams. General and special positions, site- symmetry groups, crystallographic orbits.
- Poster contributions-discussion during the coffee break.
- 17:00 - 19:00 (MIA) Representations of space groups. Representations of the translation group. Symmetry in reciprocal space: Brillouin zones and wave-vector symmetry types. Irreducible representations of space groups and their construction. Subduced and direct-product representations of space groups.Brillouin-zone database of Bilbao Crystallographic Server. Basic computer tools for space-group representations.
- Discussions, questions and comments on the lecture and exercise material of the day.
- 8:15 – 9:45 (MN) Transformations of the coordinate systems: change of origin and orientation. Conventional and non-conventional descriptions of space groups; ITA-settings.
- 9:45 – 10:30 (MIA) Group-subgroup relations between space groups. Subgroups of space groups: types of subgroups of space groups; Hermann theorem; maximal subgroups; series of isomorphic subgroups. Coset decomposition. Relations of Wyckoff positions for a group-subgroup pair. Supergroups of space groups.
- Poster contributions-discussion during the coffee break.
- 11:00 - 13:00 (MIA) Group-subgroup relations between space groups (cont).
- 13:00 - 14:00 (MIA) Computer databases and access tools to crystallographic symmetry data for space groups. Maximal subgroups data and related computer application in the Bilbao Crystallographic Server.
- 14:30 - 19:00 Excursion in Shanghai.
- 19:30 – 22:00 Dinner in the town.
morning session
- 8:30 - 10:30 (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).
- 11:00 - 12:00 (MIA) Crystal-structure relationships. Family trees (Baernighausen trees) of crystal structures: aristotype (basic) and hettotypes (derivative) structures (the program STRUCTURE RELATIONS).
- 12:00 – 13:00 (MIA) Structural pseudosymmetry. Pseudosymmetry search for new ferroics. Application in structural phase transitions (the program PSEUDO).
- 14:30 - 19:00 (JMPM) Group-subgroup relations of space groups and their applications to phase transitions (k-SUBGROUPS, AMPLIMODES).
- Discussions, questions and comments on the lecture and exercise material of the day.
- 8:30 - 10:30 Magnetic symmetry. Magnetic point operations and point groups, connection to magnetic tensor properties. Magnetic space groups and their presentation in D. Litvin’s tables. OG and BNS settings of type-IV magnetic space groups.
- 11:00 -13:00 Representation analysis vs magnetic symmetry description of magnetic structures.
- 14:30 - 16:30 Magnetic and its applications in the Bilbao Crystallographic Server. Magnetic point and magnetic space groups. General and special Wyckoff positions. Magnetic symmetry material tensors. Extinction rules for magnetic space groups. Maximal magnetic space groups for a given a propagation vector and resulting magnetic structural models.
- 17:00 - 18:00 Database of magnetic structures on the Bilbao Crystallographic Server.
- Discussions, questions and comments on the lecture and exercise material of the day.
morning session
- 8:30 - 10:30 (MN) Chirality: from molecules to crystal structures.
- 11:00 -13:00 (DA) Chirality measures: definitions and applications in chemistry and material science.
- 14:30 - 16:30 (BJC) A symmetry-mode based descriptor of chirality. Applications to chiral organic-inorganic hybrid metal-halides.
- 14:30 - 16:30 (SC) Symmetry-Operational Similarity (SOS), magnetic chirality and physical properties.
- 18:00 - 21:00: Poster session (with bouffet and beer).
morning session
- 8:30 – 10:30 (RMG) Chiral Phonons: definitions and theoretical descriptions.
- 11:00 -13:00 (RMG) Emergent phenomena with chiral phonons.
- 16:00 – 18:00: Conclusive remaks. Final farewell and end of the school.
Registration and accommodation
All the details are available at the local website.
The Organizers of the Shanghai International Crystallographic School have observed the basic policy of non-discrimination and affirms 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 no barrier existed which would have prevented the participation of bona fide scientists.
Last update:
17th May 2024