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Volume 15
Issue 5
10.3390/cryst15050440
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Article

119Sn Element-Specific Phonon Density of States of BaSnO3

by
Alexey Rulev
1,*,
Hongxin Wang
2,
Selma Erat
1,3,4,
Murat Aycibin
3,4,
Daniel Rentsch
5,
Vladimir Pomjakushin
6,
Stephen P. Cramer
2,
Qianli Chen
7,
Nobumoto Nagasawa
8,
Yoshitaka Yoda
8 and
Artur Braun
1,*
1
Laboratory for High Performance Ceramics, Empa. Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, CH-8600 Dübendorf, Switzerland
2
SETI Institute, Mountain View, CA 94043, USA
3
Program of Opticianry, Department of Medical Services and Techniques, Vocational School of Technical Sciences, Mersin University, 33340 Mersin, Türkiye
4
Department of Nanotechnology and Advanced Materials, Institute of Science, Mersin University, 33340 Mersin, Türkiye
5
Laboratory for Functional Polymers, Empa. Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, CH-8600 Dübendorf, Switzerland
6
Laboratory for Neutron Scattering, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland
7
University of Michigan–Shanghai Jiao Tong University Joint Institute, Shanghai Jiao Tong University, Shanghai 200240, China
8
Precision Spectroscopy Division, SPring-8/JASRI, Sayo, Hyogo 679-5198, Japan
*
Authors to whom correspondence should be addressed.
Crystals 2025, 15(5), 440; https://doi.org/10.3390/cryst15050440
Submission received: 29 March 2025 / Revised: 16 April 2025 / Accepted: 30 April 2025 / Published: 5 May 2025
(This article belongs to the Section Inorganic Crystalline Materials)
Versions Notes

Abstract

Vibration spectroscopy is routinely used in analytical chemistry for molecular speciation. Less common is its use in studying the dynamics of reaction and transport processes. A shortcoming of vibration spectroscopies is that they are not inherently specific to chemical elements. Progress in synchrotron radiation-based X-ray technology has developed nuclear resonance vibration spectroscopy (NRVS), which can be used to produce element-specific vibration spectra and partial vibrational density of states (PVDOS), provided the material under investigation contains a Mössbauer-active element. While the method has been recently used successfully for protein spectroscopy, fewer studies have been conducted for condensed matter. We have employed NRVS on the BaSnO3 perovskite structure, which is a model compound for ceramic proton conductors in intermediate temperature fuel cells. Since we used 119Sn as a Mössbauer isotope, the derived experimental PVDOS is specific to the element Sn in BaSnO3. We show how this phonon DOS is used as an experimental anchor for the interpretation of the DFT-calculated PVDOS of BaSnO3.
Keywords: NRVS; vibrational spectroscopy; phonon DOS; BaSnO3; proton conductor; fuel cell NRVS; vibrational spectroscopy; phonon DOS; BaSnO3; proton conductor; fuel cell

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MDPI and ACS Style

Rulev, A.; Wang, H.; Erat, S.; Aycibin, M.; Rentsch, D.; Pomjakushin, V.; Cramer, S.P.; Chen, Q.; Nagasawa, N.; Yoda, Y.; et al. 119Sn Element-Specific Phonon Density of States of BaSnO3. Crystals 2025, 15, 440. https://doi.org/10.3390/cryst15050440

AMA Style

Rulev A, Wang H, Erat S, Aycibin M, Rentsch D, Pomjakushin V, Cramer SP, Chen Q, Nagasawa N, Yoda Y, et al. 119Sn Element-Specific Phonon Density of States of BaSnO3. Crystals. 2025; 15(5):440. https://doi.org/10.3390/cryst15050440

Chicago/Turabian Style

Rulev, Alexey, Hongxin Wang, Selma Erat, Murat Aycibin, Daniel Rentsch, Vladimir Pomjakushin, Stephen P. Cramer, Qianli Chen, Nobumoto Nagasawa, Yoshitaka Yoda, and et al. 2025. "119Sn Element-Specific Phonon Density of States of BaSnO3" Crystals 15, no. 5: 440. https://doi.org/10.3390/cryst15050440

APA Style

Rulev, A., Wang, H., Erat, S., Aycibin, M., Rentsch, D., Pomjakushin, V., Cramer, S. P., Chen, Q., Nagasawa, N., Yoda, Y., & Braun, A. (2025). 119Sn Element-Specific Phonon Density of States of BaSnO3. Crystals, 15(5), 440. https://doi.org/10.3390/cryst15050440

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