کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10632012 | 992377 | 2005 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical studies on the defect structure for Mn2+ in KTaO3
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
The defect structure for Mn2+ in KTaO3 is theoretically studied by using perturbation formulas of the spin Hamiltonian (SH) parameters for 3d5 ions in tetragonal symmetry based on the strong-field scheme. By analyzing the electron paramagnetic resonance (EPR) data of the studied system, we suggest that the impurity Mn2+ ion occupy the dodecahedral K+ site, rather than the octahedral Ta5+ site. Based on the studies, it is found that the Mn2+ impurity undergoes an off-center displacement away from the ideal K+ site by about 0.60Â Ã
along the C4 axis. The above displacement is qualitatively consistent with the recent result based on the generalized gradient approximation (GGA) and that obtained from EPR and dielectric spectroscopy studies.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Research Bulletin - Volume 40, Issue 5, 18 May 2005, Pages 742-748
Journal: Materials Research Bulletin - Volume 40, Issue 5, 18 May 2005, Pages 742-748
نویسندگان
Shao-Yi Wu, Hui-Ning Dong, Wei-Zi Yan, Xiu-Ying Gao,