Absolute atomic charges in YBa 2 Cu 3 O 7  lattice determined by analysis of the nuclear quadrupole interaction parameters

G. A. Bordovskii; E. I. Terukov; A. V. Marchenko; P. P. Seregin; A. V. Shaldenkova

doi:10.1134/S1063785017040186

Absolute atomic charges in YBa₂Cu₃O₇ lattice determined by analysis of the nuclear quadrupole interaction parameters

作者: Bordovskii G.A.¹, Terukov E.I.², Marchenko A.V.¹, Seregin P.P.¹, Shaldenkova A.V.¹
隶属关系:
1. Herzen State Pedagogical University of Russia
2. Ioffe Physical Technical Institute
期: 卷 43, 编号 4 (2017)
页面: 409-412
栏目: Article
URL: https://bakhtiniada.ru/1063-7850/article/view/204469
DOI: https://doi.org/10.1134/S1063785017040186
ID: 204469

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The absolute charges of atoms in all sites of the YBa₂Cu₃O₇ lattice were determined using Mössbauer data for ⁶⁷Cu(⁶⁷Zn) and ⁶⁷Ga(⁶⁷Zn) isotopes, NMR/NQR data for ¹⁷O and ¹³⁷Ba isotopes, and calculations of the lattice electric-field gradient. The obtained charge distributions correspond to a hole occurring predominantly in the sublattice of chain oxygen.