119Sn Element-Specific Phonon Density of States of BaSnO3
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.
Authors
- Nobumoto Nagasawa (ORCID: https://orcid.org/0000-0001-5654-7708)
- Alexey Rulev (ORCID: https://orcid.org/0000-0002-9632-1161)
- Stephen P. Cramer (ORCID: https://orcid.org/0000-0002-3751-7623)
- Daniel Rentsch (ORCID: https://orcid.org/0000-0002-9335-9527)
- Vladimir Pomjakushin (ORCID: https://orcid.org/0000-0003-2180-8730)
- Selma Erat (ORCID: https://orcid.org/0000-0001-7187-7668)
- Murat Aycibin (ORCID: https://orcid.org/0000-0002-2634-3082)
- Yoshitaka Yoda (ORCID: https://orcid.org/0000-0003-3062-8651)
- Qianli Chen (ORCID: https://orcid.org/0000-0001-8460-0596)
- Artur Braun (ORCID: https://orcid.org/0000-0002-6992-7774)
- Hongxin Wang (ORCID: https://orcid.org/0000-0002-7325-0161)
Institutions
- Shanghai Jiao Tong University (CN)
- Paul Scherrer Institute (CH)
- SPring-8 (JP)
- Japan Synchrotron Radiation Research Institute (JP)
- Mersin Üniversitesi (TR)
- Swiss Federal Laboratories for Materials Science and Technology (CH)
- Search for Extraterrestrial Intelligence (US)
Publication Details
- Journal
- Crystals
- Published
- 2025-05-05
- DOI
- https://doi.org/10.3390/cryst15050440
- Citations
- 3
- Primary Topic
- Electronic and Structural Properties of Oxides
- Type
- article
- Field-Weighted Citation Impact
- 1.55
Funders
- National Institutes of Health
- SLAC National Accelerator Laboratory