Electron-paramagnetic-resonance study of transition-metal-doped<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">BaTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: Effect of material processing on Fermi-level position

Schwartz, Robert N.; Wechsler, B. A.

doi:10.1103/physrevb.48.7057

Cited by 64 publications

(30 citation statements)

References 46 publications

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“…Mn 3+ is found to be unstable for all conditions. This is in excellent agreement with experimental findings reported by Schwartz and Wechsler, 40) who determined the valence state of Mn in BaTiO 3 by EPR spectroscopy. They observed a smooth transition from Mn 4+ to Mn 2+ , with no Mn 3+ detected.…”

Section: Results and Discusion 31 Mn Dopingsupporting

confidence: 92%

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Multi layer ceramic capacitors materials research using first-principles calculations

Moriwake

2014

J. Ceram. Soc. Japan

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In this paper the multi-layer ceramic capacitors (MLCCs) materials research using first-principles calculations are explained. For example, doping with 3d transition metals, particularly Mn, is thought to play an important role in determining the reliability of dielectrics used in MLCCs. However, a detailed examination of the electronic structure, solution energies and compensation mechanisms of these systems is lacking. The quantitative analysis of the substitution of Mn in perovskite-type BaTiO 3 using firstprinciples calculations in combination with chemical thermodynamics is reported.

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Section: Results and Discusion 31 Mn Dopingsupporting

confidence: 92%

“…28), 40) These results suggests that inclusion of the U parameter is essential for reproducing the experimentally observed electronic structure of Mn-doped BaTiO 3 . Figure 6 shows .…”

Section: Results and Discusion 31 Mn Dopingmentioning

confidence: 66%

Multi layer ceramic capacitors materials research using first-principles calculations

Moriwake

2014

J. Ceram. Soc. Japan

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“…As is known, the transition-metal ions doped into BaTiO 3 play a central role for photorefractivity to occur [5][6][7][8][9]. So, the optical and EPR spectra for BaTiO 3 doped with 3d n ions were extensively studied [9][10][11][12][13]. In the low-temperature rhombohedral phase of BaTiO 3, the oxygen octahedron surrounding Ti 4+ ion is slightly elongated along h1 1 1i axis.…”

Section: Introductionmentioning

confidence: 99%

Defect structure of Co2+ center in rhombohedral BaTiO3

Zheng

Yang

et al. 2007

Optical Materials

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“…Transition-metal (TM) ions doped into BaTiO 3 play an important role for photorefractivity to occur (7)(8)(9). Since useful information on valence state, substitutional site and defect structure of TM ions in crystals can be obtained by analyzing their EPR spectra, many EPR studies for TM ions in BaTiO 3 crystals have been made (9)(10)(11)(12)(13). Among them, the EPR spectra of 3d n TM ions in BaTiO 3 were widely studied.…”

Section: Introductionmentioning

confidence: 99%

Spin-Hamiltonian parameters and off-center displacements for Rh⁴⁺and Ir⁴⁺ions in rhombohedral BaTiO₃

Zheng

Zhang

2009

Radiation Effects and Defects in Solids

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By means of the formulae based on the first-order theory of resonance for a low-spin 2 T 2 term in trigonal symmetry, the spin-Hamiltonian parameters (g factors g // , g ⊥ and hyperfine structure constants A // , A ⊥ ) for Rh 4+ (4d 5 ) and Ir 4+ (5d 5 ) ions in the low-temperature rhombohedral phase of BaTiO 3 are calculated. The calculated results are in reasonable agreement with the experimental values. From the calculations, the off-center displacements of Rh 4+ and Ir 4+ in the oxygen octahedra of BaTiO 3 crystal are acquired. These impurity displacements are much smaller than that of the replaced host ion Ti 4+ . This point is analogous to the displacements of 3d n impurities Fe 3+ and Co 2+ in rhombohedral BaTiO 3 obtained by analyzing their spin-Hamiltonian parameters.

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Electron-paramagnetic-resonance study of transition-metal-dopedBaTiO3: Effect of material processing on Fermi-level position

Cited by 64 publications

References 46 publications

Multi layer ceramic capacitors materials research using first-principles calculations

Multi layer ceramic capacitors materials research using first-principles calculations

Defect structure of Co2+ center in rhombohedral BaTiO3

Spin-Hamiltonian parameters and off-center displacements for Rh⁴⁺and Ir⁴⁺ions in rhombohedral BaTiO₃

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Electron-paramagnetic-resonance study of transition-metal-dopedBaTiO3: Effect of material processing on Fermi-level position

Cited by 64 publications

References 46 publications

Multi layer ceramic capacitors materials research using first-principles calculations

Multi layer ceramic capacitors materials research using first-principles calculations

Defect structure of Co2+ center in rhombohedral BaTiO3

Spin-Hamiltonian parameters and off-center displacements for Rh4+and Ir4+ions in rhombohedral BaTiO3

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Spin-Hamiltonian parameters and off-center displacements for Rh⁴⁺and Ir⁴⁺ions in rhombohedral BaTiO₃