Molecular Communication

Vishwamittar,; Batra, Priyanka; Chopra, Ribhu

doi:10.1007/s12045-023-1525-4

Cited by 1 publication

(2 citation statements)

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“…The structural parameters are azimuthal angles ϕ i , the polar angles θ i , the distance R H i between two barium tetrahedrons, i = 1, 2. The following values of the structural parameters were taken: R H 1 ≈ 0.2778 [nm], θ 1 ≈ 69.05 0 , ϕ 1 ≈ −35.16 0 , and R H 2 ≈ 0.2738 [nm], θ 2 ≈ 143 0 , ϕ 2 ≈ −24.41 0 , for the first and the second tetrahedron, respectively [29]. For the ionic radii and crystal radii, all positive ions in the doped and codoped barium tungstate (BaWO 4 : Ce and BaWO 4 : Ce, Na) are gathered in Table 1 according to R. D. Shannon [30].…”

Section: Theoretical Model and Calculationsmentioning

confidence: 99%

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

Bodziony

2022

Materials

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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.

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Section: Theoretical Model and Calculationsmentioning

confidence: 99%

“…The structural data for cerium dodecahedron [CeO 8 ] making of two tetrahedrons in the BaWO 4 single crystal[13,29].…”

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confidence: 99%