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Comparative Hybrid Hartree-Fock-DFT Calculations of WO 2 -Terminated Cubic WO 3 as Well as SrTiO 3 , BaTiO 3 , PbTiO 3 and CaTiO 3 (001) Surfaces.
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- Crystals (2073-4352), 2021, v. 11, n. 4, p. 455, doi. 10.3390/cryst11040455
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Self-Ordered Second-Component Nb Clusters in KNb<sub>x</sub>Ta<sub>1-x</sub>O 3 Solid Solutions and Their Physical Properties.
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- Physica Status Solidi (B), 1999, v. 212, n. 1, p. 53, doi. 10.1002/(SICI)1521-3951(199903)212:1<53::AID-PSSB53>3.0.CO;2-F
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Semi-Empirical Hartree-Fock Simulations of Lattice Relaxation and Effective Interactions in Li-Doped KTaO<sub>3</sub>.
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- Physica Status Solidi (B), 1998, v. 209, n. 1, p. 187, doi. 10.1002/(SICI)1521-3951(199809)209:1<187::AID-PSSB187>3.0.CO;2-4
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Semi-Empirical Calculations of Hole Polarons in MgO and KNbO<sub>3</sub> Crystals.
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- Physica Status Solidi (B), 1998, v. 208, n. 1, p. 15, doi. 10.1002/(SICI)1521-3951(199807)208:1<15::AID-PSSB15>3.0.CO;2-5
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Computer Simulations of I-Center Annealing in KCl and KBr Crystals. Theoretical Interpretation of Thermostimulated Experiments.
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- Physica Status Solidi (B), 1995, v. 190, n. 2, p. 353, doi. 10.1002/pssb.2221900204
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The Kinetics of Correlated Annealing of F, I Centres in KBr Crystals.
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- Physica Status Solidi (B), 1993, v. 175, n. 2, p. K39, doi. 10.1002/pssb.2221750225
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Ab initio hybrid DFT calculations of BaTiO<sub>3</sub> bulk and BaO-terminated (001) surface F-centers.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2017, v. 31, n. 31, p. -1, doi. 10.1142/S0217979217502514
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Ab initio calculations of SrTiO<sub>3</sub>, BaTiO<sub>3</sub>, PbTiO<sub>3</sub>, CaTiO<sub>3</sub>, SrZrO<sub>3</sub>, PbZrO<sub>3</sub> and BaZrO<sub>3</sub> (001), (011) and (111) surfaces as well as F centers, polarons, KTN solid solutions and Nb impurities therein.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2014, v. 28, n. 17, p. 1430009-1, doi. 10.1142/S0217979214300096
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- Article
Comparative ab initio calculations of SrTiO<sub>3</sub> and CaTiO<sub>3</sub> polar (111) surfaces.
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- Physica Status Solidi (B), 2015, v. 252, n. 3, p. 635, doi. 10.1002/pssb.201248072
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Withdrawal: First-principles calculations of the CaF<sub>2</sub> bulk and surface electronic structure.
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- Physica Status Solidi (B), 2006, v. 243, n. 2, p. 555, doi. 10.1002/pssb.200640109
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First-principles calculations of the CaF<sub>2</sub> bulk and surface electronic structure.
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- Physica Status Solidi (B), 2005, v. 242, n. 10, p. 2041, doi. 10.1002/pssb.200540069
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Modelling of defects and surfaces in perovskite ferroelectrics.
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- Physica Status Solidi (B), 2003, v. 236, n. 2, p. 253, doi. 10.1002/pssb.200301664
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- Article
Comparative Ab initio Calculations for ABO<sub>3</sub> Perovskite (001), (011) and (111) as well as YAlO<sub>3</sub> (001) Surfaces and F Centers.
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- Journal of Nano- & Electronic Physics, 2019, v. 11, n. 1, p. 1, doi. 10.21272/jnep.11(1).01001
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FIRST-PRINCIPLES CALCULATIONS OF THE CaF<sub>2</sub>(111), (110), AND (100) SURFACE ELECTRONIC AND BAND STRUCTURE.
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- Surface Review & Letters, 2006, v. 13, n. 2/3, p. 149, doi. 10.1142/S0218625X06008190
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