Comparison of features arising in phonon spectra of crystals belonging to the argyrodite family for various combinations of orbits filled with Ag (Cu) atoms

Comparison of features arising in phonon spectra of crystals belonging to the argyrodite family for various combinations of orbits filled with Ag (Cu) atoms

The paper is devoted to model phonon spectra calculations of argyrodite family crystals, namely: Ag7GeSe5I and Cu7GeSe5I (Ag7SiS5I and Cu7SiS5I). The specificity of the crystalline structure of these crystals is realization of variable partial populating different crystallographic orbits with Cu, I...

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Bibliographic Details
Main Authors: Katanytsia, A.F (Author), Kopčanský, P. (Author), Nebola, I.I (Author), Pal, Y.O (Author), Shkyrta, I.M (Author), Studenyak, I.P (Author), Timko, M. (Author)
Format: Article
Language:English
Published: National Academy of Sciences of Ukraine - Institute of Semiconductor Physics 2022
Subjects:
Ag atoms
Atoms
Copper compounds
Crystal atomic structure
Crystal symmetry
Cu atoms
dynamic matrix
Dynamic matrix
Dynamics
Eigenvalues and eigenfunctions
force constant
Force constants
Germanium compounds
Lattice constants
Lattice vibrations
matrix
Modulation
modulation vector
Modulation vectors
phonon spectrum
Phonon spectrum
Phonons
Selenium compounds
Silicon compounds
Silver
Silver compounds
Spatial symmetry
Spectrum calculation
super-spatial symmetry
Super-spatial symmetry
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