Electric Field Gradients for KNbO3 in its rhombohedral ferroelectric ground state have been calculated using the self-consistent general potential linearized augmented planewave method. Calculations were also performed for KTaO3 constrained to be in the same structure, for comparison and to make contact with perturbed angular correlation spectroscopy experiments using Hf-181 probes.
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Tokyo Univ Sci, Grad Sch, Fac Sci & Technol, Dept Elect Engn, Chiba 2788510, JapanTokyo Univ Sci, Grad Sch, Fac Sci & Technol, Dept Elect Engn, Chiba 2788510, Japan
Matsumoto, K.
Hiruma, Y.
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Tokyo Univ Sci, Grad Sch, Fac Sci & Technol, Dept Elect Engn, Chiba 2788510, JapanTokyo Univ Sci, Grad Sch, Fac Sci & Technol, Dept Elect Engn, Chiba 2788510, Japan
Hiruma, Y.
Nagata, H.
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Tokyo Univ Sci, Grad Sch, Fac Sci & Technol, Dept Elect Engn, Chiba 2788510, JapanTokyo Univ Sci, Grad Sch, Fac Sci & Technol, Dept Elect Engn, Chiba 2788510, Japan
Nagata, H.
Takenaka, T.
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Tokyo Univ Sci, Grad Sch, Fac Sci & Technol, Dept Elect Engn, Chiba 2788510, JapanTokyo Univ Sci, Grad Sch, Fac Sci & Technol, Dept Elect Engn, Chiba 2788510, Japan