Lithium tantalate (LiTaO3) has large technological importance due to numerous applications, but temperature treatment influences the optical and electrical properties of the material due to the incorporation of defects. Inelastic neutron spectra were measured in situ to identify the point defects and separate them from further contributions. The influence of ferroelectric domains was analysed by Raman and FT-IR spectroscopy. Combining the results of the different techniques, we can elucidate the role of lithium and oxygen vacancies during the annealing of congruent LiTaO3.
T. Köhler, E. Mehner, J. Hanzig, G. Gärtner, C. Funke, Y. Joseph, T. Leisegang, H. Stöcker, D. C. Meyer Kinetics of the hydrogen defect in congruent LiMO3
Journal of Materials Chemistry C 9 (2021) 2350–2367
A. Blagov, N. Marchenkov, A. Kulikov, M. Zschornak, E. N. Ovchinnikova Study of changes in the atomic crystal structure of functional materials under the influence of acoustic waves and electric fields
Bulletin of the Russian Foundation for Basic Research 109/110 (2021) 13–22
M. Zschornak, D. C. Meyer Evolution of Symmetry in Elemental Crystals
In: Theory and Practice of Mathematics and Computer Science, Vol. 6, pp. 21–37, edited by H. M. Srivastava, Book Publisher International (2021)
M. Zschornak, J. Hanzig, H. Stöcker, T. Leisegang, S. Gemming, D. C. Meyer Structural transformation of the SrTiO3 surface region due to electric fields at ambient temperature
In: Switching Effects in transition metal oxides, edited by K. Roleder, W. Speier, K. Szot, Wydawnictwo Naukowe PWN, Warschau (2021)
M. Zschornak, C. Wagner, M. Vallinayagam, M. Nentwich, D. C. Meyer, K. Fischer Advances in the Parameter Space Concept for Crystal Structure Determination – a maximum resolution study
29. Jahrestagung der Deutschen Gesellschaft für Kristallographie, München, 14.–17. März 2022, Poster
C. Ludt, M. Zschornak Electronic structure of the homologous series of Ruddlesden-Popper phases SrO(SrTiO3)n, (n = 0 – 3, ∞)
29. Jahrestagung der Deutschen Gesellschaft für Kristallographie, München, 14.–17. März 2022, Poster
T. Weigel, J. Hanzig, E. Mehner The crystal structure of single crystalline PrCa4O[BO3]3
29. Jahrestagung der Deutschen Gesellschaft für Kristallographie, München, 14.–17. März 2022, Poster
Konferenzbeiträge 2021:
T. Leisegang, M. Rothenberger, Y. A. Morkhova, S. Adams, V. A. Blatov, A. A. Kabanov Computational search for novel Zn-ion conductors — a crystallochemical, bond valence, and density functional study
32. Seminar des Arbeitskreises Elektrochemie in Sachsen, 18. November 2021, Vortrag
M. Momeni, Y.-M. Li, H. Nguyen Dang Duc, M. Danziger, T. Leisegang Novel super-light current collectors for lithium-ion batteries
32. Seminar des Arbeitskreises Elektrochemie in Sachsen, 18. November 2021, Vortrag
M. Zschornak How to functionalize a perovskite?
3rd Lab Meeting of the Young Crystallographers @ STOE, Darmstadt, 28.–30. September 2021, eingeladener Vortrag
M. Vallinayagam Influence of Si on hydrogen adsorption in SMoSe Janus host layer
3rd Lab Meeting of the Young Crystallographers @ STOE, Darmstadt, 28.–30. September 2021, Poster
M. Zschornak Advances in the Parameter Space Concept for Crystal Structure Determination – a maximum resolution study
25th Congress of the International Union of Crystallography, Prag, Tschechische Republik, 14.–22. August 2021, Poster
T. Weigel, C. Richter, M. Nentwich, M. Zschornak, D. C. Meyer Structure of ferroelectric low temperature phase of yttrium manganate YMn2O5 revisited
25th Congress of the International Union of Crystallography, Prag, Tschechische Republik, 14.–22. August 2021, Poster
C. Ludt, A. Kulikov, E. Ovchinikova, D. Novikov, D. C. Meyer, M. Zschornak Controlled tuning of atomic structure in functional materials by acoustic standing waves and electric fields
25th Congress of the International Union of Crystallography, Prag, Tschechische Republik, 14.–22. August 2021, Poster
Y. Morkhova, A. Kabanov, T. Leisegang, M. Rothenberger, V. Blatov Combined crystallochemical and quantum-chemical search for new high-valent chalcogen-containing ionic conductors
25th Congress of the International Union of Crystallography, Prag, Tschechische Republik, 14.–22. August 2021, Vortrag
M. Zschornak Switching effects in strontium titanate
Seminar Geomaterialien, Institut für Kristallographie, RWTH Aachen, 6. Juli 2021, eingeladener Vortrag
M. Zschornak Atomistic Electronic Structure and derived Properties of Crystals by means of DFT using VASP
Scientific Seminar Series „Hardware & Numerics“, Helmholtz-Zentrum Dresden-Rossendorf, 25. Mai 2021, eingeladener Vortrag
Y. Morkhova, A. Kabanov, T. Leisegang The theoretical evaluation of new promising solid ion conductors for zinc-ion batteries
International Scientific Practical Conference on materials science, shape-generating technologies and equipment (ICMSSTE 2021), Yalta, Russland, 17.–20. Mai 2021, Vortrag
M. Zschornak From the perturbation of crystal symmetry towards functionality
29. Jahrestagung der Deutschen Gesellschaft für Kristallographie, Hamburg, 15.–18. März 2021, Max-von-Laue-Preisvortrag
T. Weigel, C. Richter, M. Nentwich, D. Novikov, M. Zschornak, D. C. Meyer Structure of ferroelectric low temperature phase of yttrium manganate YMn2O5 revisited
29. Jahrestagung der Deutschen Gesellschaft für Kristallographie, Hamburg, 15.–18. März 2021, Poster
C. Ludt, A. Kulikov, E. Ovchinikova, D. Novikov, D. C. Meyer, M. Zschornak Controlled tuning of atomic structure in functional materials by acoustic standing waves and electric fields
29. Jahrestagung der Deutschen Gesellschaft für Kristallographie, Hamburg, 15.–18. März 2021, Poster
T. Leisegang, M. de Vivanco, M. Rothenberger, A. A. Kabanov, Y. A. Morkhova, R. A. Eremin, V. A. Blatov The conversion and storage of energy: pyroelectrics and solid electrolytes
11th German Frontiers of Engineering Conference – INDOGFOE 2021, Indian Department of Science and Technology & Alexander von Humboldt Foundation, 25. Februar 2021, eingeladener Postervortrag
T. Leisegang, H. Nguyen Dang Duc, Y. M. Li, M. Danziger, W. Voitus Resource-efficient current collectors for lithium-ion batteries
31. Seminar des Arbeitskreises Elektrochemie in Sachsen, 23. Februar 2021, Vortrag
T. Weigel, C. Richter, M. Nentwich, D. Novikov, M. Zschornak, D. C. Meyer Structural characterization of a commensurate low temperature phase of yttrium manganate oxide in picometer range with resonate X-ray diffraction
DESY Photon Science User Meeting, Hamburg, 25.–29. Januar 2021, Poster
