The Investigation of Electronic, Elastic and Vibrational Properties of an Interlanthanide Perovskite: PrYbO3
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Electronic Materials"
DOI: 10.1007/s11664-017-5600-z
Abstract: The structural, mechanical, electronic and lattice dynamical properties of the PrYbO3 compound from the ABO3-type perovskite family have been investigated by performing the first-principles density functional theory calculations using the generalized-gradient approximation (GGA) with corrected… read more here.
Keywords: interlanthanide perovskite; elastic vibrational; investigation electronic; properties interlanthanide ... See more keywords
First Principles calculations of structural, electronic, elastic, vibrational, and thermodynamic properties of TMPs compounds (TM= Cr, Mo)
Sign Up to like & getrecommendations! Published in 2021 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2021.e00541
Abstract: Abstract The structural, electronic, elastic, vibrational, and thermodynamic properties of transitions metal phosphides TMP with (TM = Cr and Mo) in zinc blende (ZB) structure are investigated in the framework of density functional theory (DFT) implemented in… read more here.
Keywords: electronic elastic; vibrational thermodynamic; structural electronic; thermodynamic properties ... See more keywords
Structural, elastic, vibrational and electronic properties of amorphous Sm2O3 from Ab Initio calculations
Sign Up to like & getrecommendations! Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2019.109119
Abstract: Abstract Rare earth oxides have shown great promise in a variety of applications in their own right, and as the building blocks of complex oxides. A great deal of recent interest has been focused on… read more here.
Keywords: properties amorphous; structural elastic; electronic properties; elastic vibrational ... See more keywords
Influence of Halides on Elastic and Vibrational Properties of Mixed-Halide Perovskite Systems Studied by Brillouin and Raman Scattering
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DOI: 10.3390/ma16113986
Abstract: The relationship between halogen content and the elastic/vibrational properties of MAPbBr3−xClx mixed crystals (x = 1.5, 2, 2.5, and 3) with MA = CH3NH3+ has been studied using Brillouin and Raman spectroscopy at room temperature.… read more here.
Keywords: brillouin raman; elastic vibrational; raman; vibrational properties ... See more keywords