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First-Principles Modeling of Oxygen Adsorption on Ag-Doped LaMnO3 (001) Surface.
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- Journal of Electronic Materials, 2020, v. 49, n. 2, p. 1421, doi. 10.1007/s11664-019-07814-2
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- Article
The electronic properties of SrTiO<sub>3-δ</sub> with oxygen vacancies or substitutions.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-02751-9
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- Article
Evidence for the formation of two types of oxygen interstitials in neutron-irradiated α-Al<sub>2</sub>O<sub>3</sub> single crystals.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-00336-0
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Study of the electronic and atomic structure of thermally treated SrTiO<sub>3</sub>(110) surfaces.
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- Surface & Interface Analysis: SIA, 2003, v. 35, n. 12, p. 998, doi. 10.1002/sia.1638
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First Principles Modeling of Pd-doped (La,Sr)(Co,Fe)O<sub>3</sub> Complex Perovskites.
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- Fuel Cells, 2016, v. 16, n. 2, p. 267, doi. 10.1002/fuce.201500203
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- Article
Atomistic Calculations of (110) Surface Relaxation for Perovskite Titanates.
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- Surface Review & Letters, 1999, v. 6, n. 6, p. 1215, doi. 10.1142/S0218625X99001360
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- Article
SrFexTi1−xO3−δ: studies of local structure and (electro)chemical oxygen incorporation kinetics.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2006, v. 632, n. 12/13, p. 2108, doi. 10.1002/zaac.200670063
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- Article
Distinctive features of diffusion-controlled radiation defect recombination in stoichiometric magnesium aluminate spinel single crystals and transparent polycrystalline ceramics.
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- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-64778-8
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- Article
Quantum chemical simulations of hole self-trapping in semi-ionic crystals.
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- International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. 1177, doi. 10.1002/qua.560520505
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A comparative ab initio study of Cu overlayers on BaTiO<sub>3</sub>(001) and MgO(001) substrates.
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- Physica Status Solidi (B), 2008, v. 245, n. 5, p. 980, doi. 10.1002/pssb.200743469
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- Article
DFT LCAO and plane wave calculations of SrZrO<sub>3</sub>.
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- Physica Status Solidi (B), 2005, v. 242, n. 2, p. R11, doi. 10.1002/pssb.200409085
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- Article
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
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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- Article
Computer Modelling of Radiation Damage in Cation Sublattice of Corundum.
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- Physica Status Solidi (B), 1998, v. 207, n. 1, p. 69, doi. 10.1002/(SICI)1521-3951(199805)207:1<69::AID-PSSB69>3.0.CO;2-B
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- Article
The Diffusion-Controlled Energy Transfer Rate for a Paired Sink Distribution and Donor-Acceptor Interaction.
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- Physica Status Solidi (B), 1997, v. 201, n. 2, p. 339, doi. 10.1002/1521-3951(199706)201:2<339::AID-PSSB339>3.0.CO;2-J
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- Article
Atomic, electronic and magnetic structure of an oxygen interstitial in neutron-irradiated Al<sub>2</sub>O<sub>3</sub> single crystals.
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- Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-72958-9
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- Article
Statistical characterization of self-assembled charged nanoparticle structures.
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- Physica Status Solidi. A: Applications & Materials Science, 2014, v. 211, n. 2, p. 288, doi. 10.1002/pssa.201330053
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- Article
A first-principles DFT study of UN bulk and (001) surface: Comparative LCAO and PW calculations.
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- Journal of Computational Chemistry, 2008, v. 29, n. 13, p. 2079, doi. 10.1002/jcc.21023
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- Article
First-principles study of bulk and surface oxygen vacancies in SrTiO<sub>3</sub> crystal.
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- European Physical Journal B: Condensed Matter, 2009, v. 72, n. 1, p. 53, doi. 10.1140/epjb/e2009-00339-4
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- Article
Quantum chemical calculations of the electron center diffusion in MgO crystals.
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- Physica Status Solidi (B), 1996, v. 195, n. 1, p. 61, doi. 10.1002/pssb.2221950107
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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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- Article
Theory of tunneling recombination of defects stimulated by their motion II. Three recombination mechanisms.
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- Physica Status Solidi (B), 1982, v. 114, n. 2, p. 287, doi. 10.1002/pssb.2221140202
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Theory of tunneling recombination of defects stimulated by their motion I. General formalism.
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- Physica Status Solidi (B), 1982, v. 114, n. 1, p. 9, doi. 10.1002/pssb.2221140102
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Semiempirical Calculations of Defect Properties in LiF Crystal. II. Electron and Hole Centres and Their Recombination.
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- Physica Status Solidi (B), 1982, v. 109, n. 1, p. 75, doi. 10.1002/pssb.2221090107
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- Article
Semiempirical Calculations of Defect Properties in LiF Crystal.
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- Physica Status Solidi (B), 1981, v. 108, n. 2, p. 673, doi. 10.1002/pssb.2221080246
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- Article
Kinetics of Defect Accumulation and Recombination: II. Diffusion-Controlled Defect Annihilation.
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- Physica Status Solidi (B), 1981, v. 108, n. 1, p. 37, doi. 10.1002/pssb.2221080105
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Kinetics of Defect Accumulation and Recombination. I. General Formalism.
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- Physica Status Solidi (B), 1981, v. 105, n. 2, p. 789, doi. 10.1002/pssb.2221050241
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Semiempirical Calculations of the Impurity Level Positions with Respect to the Perfect Crystal Bands.
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- Physica Status Solidi (B), 1981, v. 103, n. 2, p. 581, doi. 10.1002/pssb.2221030215
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Quantum-Chemical Calculations of Electronic and Hole Centres and Surface of NaCl Crystals (II).
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- Physica Status Solidi (B), 1980, v. 98, n. 2, p. 427, doi. 10.1002/pssb.2220980204
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Quantum-chemical calculations of electronic and hole centres and surface of NaCl crystals (I).
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- Physica Status Solidi (B), 1979, v. 96, n. 1, p. 91, doi. 10.1002/pssb.2220960106
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Molecular Cluster Approach to Magnesium and Calcium Oxide Crystals III. Charge Distribution Analysis of Some Hole Centres.
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- Physica Status Solidi (B), 1976, v. 73, n. 2, p. 483, doi. 10.1002/pssb.2220730213
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Molecular Cluster Approach to Magnesium and Calcium Oxide Crystals. II. F<sup>+</sup> and F Centres.
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- Physica Status Solidi (B), 1976, v. 73, n. 1, p. 81, doi. 10.1002/pssb.2220730105
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Molecular cluster approach to magnesium and calcium oxide crystals. I. Perfect crystals.
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- Physica Status Solidi (B), 1975, v. 72, n. 2, p. 787, doi. 10.1002/pssb.2220720240
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- Article
DFT study of a single F center in cubic SrTiO3 perovskite.
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- International Journal of Quantum Chemistry, 2006, v. 106, n. 10, p. 2173, doi. 10.1002/qua.20855
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- Article