In the framework of a unified ab initio approach, the phonon spectrum of yttrium stannate Y2Sn2O7 was calculated, the frequencies and types of IR and Raman modes were determined. From an analysis of the displacement vectors obtained in ab initio calculations, the degree of participation of ions in phonon modes is determined. The elastic constants and hardness of Y2Sn2O7 are calculated. The distance "impurity ion-ligand" in impurity centers Y2Sn2O7: Yb3 +, Y2Sn2O7: Eu3 +, Lu2Sn2O7: Yb3 +, Nd2Sn2O7: Gd3 +, Nd2Sn2O7: Tb3 + is calculated.
Translated title of the contributionPHONON SPECTRUM AND ELASTIC PROPERTIES OF Y2SN2O7
Original languageRussian
Pages (from-to)1027-1036
Number of pages10
JournalОптика и спектроскопия
Volume129
Issue number8
DOIs
Publication statusPublished - 2021

    GRNTI

  • 29.00.00 PHYSICS

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ID: 23757546