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Three-Dimensional Visualization in Powder Diffraction
Abstract
A multi-purpose pattern-fitting system, RIETAN-2000, has been extensively utilized to contribute to many structural studies. It offers a sophisticated structure-refinement technique of whole-pattern fitting based on the maximum-entropy method (MEM) in combination with a MEM analysis program PRIMA. We have recently completed a successor system, RIETAN-FP, to RIETAN-2000, adding new features such as standardization of crystal-structure data, an extended March-Dollase preferred-orientation function, and automation of imposing restraints on bond lengths and angles. Further, we have been developing a new three-dimensional visualization system, VESTA, using wxWidgets as a C++ application framework. VESTA excels in visualization, rendering, and manipulation of crystal structures and electron/nuclear densities determined by X-ray/ neutron diffraction and electronic-structure calculations. VESTA also enables us to display wave functions and electrostatic potentials calculated with part of these programs.
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Citations
Cited by
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
Momma, K., & Izumi, F. (2011) · Journal of Applied Crystallography · doi:10.1107/s0021889811038970 · Cited by 26,054
Self-citationYabuuchi, N., Nakayama, M., Takeuchi, M., Komaba, S., Hashimoto, Y., Mukai, T., Shiiba, H., Sato, K., Kobayashi, Y., Nakao, A., et al. (2016) · Nature Communications · doi:10.1038/ncomms13814 · Cited by 459
Giant Anomalous Hall Effect in the Chiral Antiferromagnet Mn 3 Ge
Kiyohara, N., Tomita, T., & Nakatsuji, S. (2016) · Physical Review Applied · doi:10.1103/physrevapplied.5.064009 · Cited by 385
Cutting Edge of High-Entropy Alloy Superconductors from the Perspective of Materials Research
Kitagawa, J., Hamamoto, S., & Ishizu, N. (2020) · Metals · doi:10.3390/met10081078 · Cited by 109
Superconductivity in High-Entropy-Alloy Telluride AgInSnPbBiTe5
Mizuguchi, Y. (2019) · Journal of the Physical Society of Japan · doi:10.7566/jpsj.88.124708 · Cited by 66
Metadata
- Authors
- Izumi, F., & Momma, K.
- Venue
- Solid State Phenomena
- Publisher
- Trans Tech Publications, Ltd.
- Published
- 2007-12
- Volume
- 130
- Pages
- 15-20
- ISSN
- 1012-0394 (ISSN-L)
- 1662-9779
- OpenAlex
- W2079607738
- Cited by
- 2,828
- References
- 0
- FWCI
- 20.84
- Type
- journal article
- Language
- en
- Open access
- closed
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