کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1810418 | 1525238 | 2013 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical investigations of the spin Hamiltonian parameters and local structures for the tetragonal V3+ and Ti2+ centers in MgO and CaO
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Theoretical investigations of the spin Hamiltonian parameters and local structures for the tetragonal V3+ and Ti2+ centers in MgO and CaO Theoretical investigations of the spin Hamiltonian parameters and local structures for the tetragonal V3+ and Ti2+ centers in MgO and CaO](/preview/png/1810418.png)
چکیده انگلیسی
The spin Hamiltonian parameters (zero-field splitting D, g factor and hyperfine structure constant) and the local structures for MgO:V3+, CaO:V3+ and CaO:Ti2+ are theoretically investigated from the perturbation formulas of these parameters for 3d2 ions under tetragonally distorted octahedra. The contributions from the dynamical Jahn-Teller effect, the configuration interactions and the ligand orbital and spin-orbit coupling interactions are quantitatively taken into account based on the cluster approach in a uniform way. The ligand octahedra are found to suffer the relative elongations of about 1.5%, 4.4% and 4.6% for MgO:V3+, CaO:V3+ and CaO:Ti2+, respectively, along the C4 axis due to the dynamical Jahn-Teller effect. The calculated spin Hamiltonian parameters based on the above local tetragonal elongations show reasonable agreement with the experimental data for all the systems. The results are discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 408, 1 January 2013, Pages 83-87
Journal: Physica B: Condensed Matter - Volume 408, 1 January 2013, Pages 83-87
نویسندگان
Zhi-Hong Zhang, Shao-Yi Wu, Min-Quan Kuang, Xian-Fen Hu,