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Engineering Physics Annotation << Back
X-RAY STUDIES AND FIRST-PRINCIPLE CALCULATIONS OF THE ZONE STRUCTURE, DENSITY OF PHONON STATES OF SILVER TELLURIDE AG2TE |
N.N. BIKKULOVA, R.A. YAKSHIBAEV, G.R. NIGMATULLINA, A.R. KURBANGULOV, D.I. SAFARGALIEV, L.V. TSYGANKOVA
X-ray diffraction analysis was used to study Ag2Te silver telluride samples. X-rays were taken on a Bruker D8 Advance diffractometer. The crystal structure parameters of the studied silver telluride compounds were calculated using the Fullprof program. In the framework of the density functional theory, using the Quantum ESPRESSO software package, the first-principle calculations of the band structure of the density of phonon states for the Ag2Te compound as a function of temperature were performed.
Keywords: superionic materials, X-ray diffraction analysis, silver telluride, crystal structure, density of phonon states, band structure, quantum espresso.
DOI: 10.25791/infizik.10.2020.1167
Pp. 39-43. |
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