The Influence of the A Monovalent Cation on Structural and Vibrational Properties of AVF3 Perovskites: A DFT Computational Study
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Raman Spectroscopy"
DOI: 10.1002/jrs.6828
Abstract: The IR and Raman spectra of five AVF3 compounds (A = Li, Na, K, Rb, and Cs) is computed by using an all electron Gaussian type basis set, the hybrid B3LYP functional, and the CRYSTAL code. For… read more here.
Keywords: vibrational properties; influence monovalent; monovalent cation; cation structural ... See more keywords
The impact of Bi3+ substitution for Y3+ cation on structural, topographical, electrical and thermal behaviour of YFeO3
Sign Up to like & getrecommendations! Published in 2019 at "Ceramics International"
DOI: 10.1016/j.ceramint.2019.07.078
Abstract: Abstract Bismuth Substituted Yttrium orthoferrite nano powders have been prepared by Sol-Gel route by setting the pH value at 9 on pH scale. The room temperature X-ray diffraction patterns confirm the single-phase orthorhombic symmetry with… read more here.
Keywords: cation structural; substitution cation; bi3 substitution; impact bi3 ... See more keywords