Lattice vibrations of single and multi-layer isotopologic graphene
Sign Up to like & getrecommendations! Published in 2018 at "Carbon"
DOI: 10.1016/j.carbon.2018.08.054
Abstract: Abstract Isotope-substituted materials, isotopologues, have been crucial in understanding various scientific problems. In this work, we report full Raman spectroscopic investigation of 13C graphene, its multilayers and isotopologic bilayers. All samples were mechanically exfoliated or… read more here.
Keywords: vibrations single; layer isotopologic; graphene; multi layer ... See more keywords
Effect of thermally excited lattice vibrations on the thermodynamic stability of tungsten ditellurides WTe2 under high pressure: A first-principles investigation
Sign Up to like & getrecommendations! Published in 2021 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2020.110024
Abstract: Abstract The thermodynamic stability as a function of pressure and temperature of three WTe2 polytypes, i . e ., Td, 1 T ′ , and 2H phases, is examined using first-principles calculations, where the temperature-dependent… read more here.
Keywords: wte2; first principles; lattice vibrations; pressure ... See more keywords
Effective real-space correlations of crystal lattice vibrations
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2020.109773
Abstract: Abstract Effective phonon fields coupled to a temperature-dependent permeability tensor are introduced to model empirical thermodynamic functions of crystal lattices and the temperature variation of Debye-Waller factors inferred by X-ray, γ-ray or neutron diffraction. The… read more here.
Keywords: temperature; effective real; real space; temperature dependent ... See more keywords
Toward a Reliable Description of the Lattice Vibrations in Organic Molecular Crystals: The Impact of van der Waals Interactions.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00484
Abstract: This work assesses the reliability of different van der Waals (vdW) methods to describe lattice vibrations of molecular crystals in the framework of density functional theory (DFT). To accomplish this task, calculated and experimental lattice… read more here.
Keywords: van der; der waals; molecular crystals; lattice vibrations ... See more keywords
Probing the properties of lattice vibrations and surface electronic states in magnetic semiconductor CrPS4
Sign Up to like & getrecommendations! Published in 2019 at "RSC Advances"
DOI: 10.1039/c9ra05861c
Abstract: Searching for multifunctional materials with magnetism and semiconductivity is one of the goals of research into two-dimensional (2D) systems. read more here.
Keywords: properties lattice; vibrations surface; probing properties; lattice vibrations ... See more keywords