Vibrational Raman modes of alamosite (PbSiO3): Combining density functional theory calculations and in situ temperature experiments
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Other documents of the author: Bartz Pena, Rafaella; Cunha, T. R.; Gomes, E. O.; Sampaio, D. V.; De Giovanni Rodrigues, Ariano; Andres, Juan; Pizani, Paulo Sergio
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Show full item recordcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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INVESTIGACIONMetadata
Title
Vibrational Raman modes of alamosite (PbSiO3): Combining density functional theory calculations and in situ temperature experimentsAuthor (s)
Date
2023-10-09Publisher
WileyISSN
0377-0486; 1097-4555Bibliographic citation
R. B. Pena, T. R. Cunha,E. O. Gomes, D. V. Sampaio, A. D. Rodrigues,J. Andrés, P. S. Pizani,J Raman Spectrosc2023,54(12), 1484.https://doi.org/10.1002/jrs.6605PENAET AL.1489Type
info:eu-repo/semantics/articleVersion
info:eu-repo/semantics/acceptedVersionSubject
Abstract
Raman vibrational modes, temperature wavenumber coefficients, and isobaric-mode Grüneisen parameters of the monoclinic alamosite (PbSiO3) have beenpioneeringly characterized by combining density functional theory ... [+]
Raman vibrational modes, temperature wavenumber coefficients, and isobaric-mode Grüneisen parameters of the monoclinic alamosite (PbSiO3) have beenpioneeringly characterized by combining density functional theory calculationandin situunpolarized Raman measurements. No structural phase transitionwas observed, corroborating the thermal stability of the monoclinic phase until1000 K. [-]
Related data
Additional supporting information can be found onlinein the Supporting Information section at the end of thisarticle.Funder Name
São Paulo Research Foundation (FAPESP)
Project code
2021/13974-0 | 2016/15962-0 | 2019/12383-8 | 2017/11868-2 | 2013/07793-6
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© 2023 John Wiley & Sons Ltd.
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