Academic Journal

Theoretical and Structural Study of Axial Symmetry Ce3+ Centers in the BaWO4 Single Crystal Doped with Cerium and Codoped with Sodium Ions

التفاصيل البيبلوغرافية
العنوان: Theoretical and Structural Study of Axial Symmetry Ce3+ Centers in the BaWO4 Single Crystal Doped with Cerium and Codoped with Sodium Ions
المؤلفون: Tomasz Bodziony
المصدر: Materials; Volume 15; Issue 16; Pages: 5749
بيانات النشر: Multidisciplinary Digital Publishing Institute
سنة النشر: 2022
المجموعة: MDPI Open Access Publishing
مصطلحات موضوعية: electron paramagnetic resonance (EPR), crystal field theory, spin Hamiltonian, tetragonal symmetry, BaWO 4, Ce 3+, Na +
الوصف: The spin–Hamiltonian parameters g–factors (g|| and g⊥) of the Ce3+ paramagnetic centers in BaWO4: Ce and BaWO4: Ce, Na single crystals with axial symmetry are investigated using the superposition model (SPM) via complete diagonalization procedure of energy matrix (CDM method). The calculated g–factors are in reasonable agreement with the experimental values. The fitted intrinsic parameters are comparable with data from other publications for rare-earth paramagnetic centers in a similar environment. The angular distortions of the cerium dodecahedron [CeO8] are also studied. Structural analysis of paramagnetic centers with axial symmetry through the postulated cerium barium tetrahedron [CeBa4] connected via oxygens bridges was carried out. The mechanism of the charge compensation and the role of the second dopant (Na+) is also discussed.
نوع الوثيقة: text
وصف الملف: application/pdf
اللغة: English
Relation: Advanced Materials Characterization; https://dx.doi.org/10.3390/ma15165749
DOI: 10.3390/ma15165749
الاتاحة: https://doi.org/10.3390/ma15165749
Rights: https://creativecommons.org/licenses/by/4.0/
رقم الانضمام: edsbas.D19AA729
قاعدة البيانات: BASE