Search results for "OXYGEN VACANCY"

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Ab-Initio Calculations of Oxygen Vacancy in Ga2O3 Crystals

2021

The research has been funded by the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (Grant No. AP08856540). J. Purans and A.I.Popov acknowledge the ERAF project 1.1.1.1/20/A/057 “Functional Ultrawide Bandgap Gallium Oxide and Zinc Gallate Thin Films and Novel Deposition Technologies”. The Institute of Solid State Physics, University of Latvia (Latvia) as the Centre of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD01-2016-2017-Teaming Phase2 under grant agreement No. 739508, project CAMART2.

ab-initio calculationsβ-ga2o3band structureQC1-999β-GaOGeneral Physics and Astronomy02 engineering and technologyDFT01 natural sciences7. Clean energyZinc gallateGallium oxideAb initio quantum chemistry methodsPolitical science0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]media_common.cataloged_instanceEuropean unionmedia_common010302 applied physicsPhysicsGeneral Engineeringoxygen vacancydft021001 nanoscience & nanotechnologyEngineering physicsOxygen vacancy3. Good healthChristian ministry0210 nano-technologyLatvian Journal of Physics and Technical Sciences
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Oxygen Vacancy Formation and Migration within the Antiphase Boundaries in Lanthanum Scandate-Based Oxides: Computational Study.

2022

The study was performed with the financial support from the Latvian Council of Science under the grant agreement LZP-2020/2-0009. Calculations were performed at the HLRS, University of Stuttgart, within the project 12939 DEFTD. The Institute of Solid State Physics, University of Latvia (Latvia), as the Centre of Excellence has received funding from the European Union’s Horizon 2020 Frame-work Programme H2020-WIDESPREAD-01-2016-2017-Teaming Phase2 under grant agreement No. 739508, project CAMART2.

oxygen transportLa<sub>1−<i>x</i></sub>Sr<i><sub>x</sub></i>ScO<sub>3−<i>δ</i></sub>; lanthanum scandate; perovskite; antiphase boundaries; oxygen vacancy; oxygen transport; DFTGeneral Materials Science:NATURAL SCIENCES::Physics [Research Subject Categories]La1−xSrxScO3−δantiphase boundariesoxygen vacancyDFTperovskitelanthanum scandateMaterials (Basel, Switzerland)
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