6533b821fe1ef96bd127ba05

RESEARCH PRODUCT

Vacancy Defects in Ga2O3: First-Principles Calculations of Electronic Structure

Maxim V. ZdorovetsVladimir PankratovZhanymgul KoishybayevaAbdirash AkilbekovAlexander PlatonenkoJuris PuransYana SuchikovaAnatoli I. PopovA. B. Usseinov

subject

TechnologyDEEP DONOR02 engineering and technologyConductivityDFT01 natural sciencesOXYGENCrystalpoint defectsGeneral Materials ScienceDENSITY FUNCTIONAL THEORYGalliump-type conductivityMicroscopyQC120-168.85Condensed matter physicsMONOCLINICSTP TYPE CONDUCTIVITYELECTRONIC.STRUCTUREEngineering (General). Civil engineering (General)021001 nanoscience & nanotechnology3. Good healthCALCULATIONSβ-Ga<sub>2</sub>O<sub>3</sub>OXYGEN VACANCIES:NATURAL SCIENCES [Research Subject Categories]Density functional theoryElectrical engineering. Electronics. Nuclear engineeringTA1-20400210 nano-technologyPOINT DEFECTSFIRST PRINCIPLE CALCULATIONSβ-Ga2O3Materials scienceP-TYPE CONDUCTIVITYELECTRONIC STRUCTUREVACANCY DEFECTSchemistry.chemical_elementElectronic structureFIRST-PRINCIPLE DENSITY-FUNCTIONAL THEORIESGALLIUM COMPOUNDSArticleDENSITY-FUNCTIONAL-THEORYVacancy defect0103 physical sciences010306 general physicsΒ-GA2 O3QH201-278.5HYBRID EXCHANGEoxygen vacancyCrystallographic defectTK1-9971Descriptive and experimental mechanicschemistryGALLIUMdeep donorSupercell (crystal)DFT; β-Ga<sub>2</sub>O<sub>3</sub>; oxygen vacancy; deep donor; p-type conductivity; point defectsOXYGEN VACANCY

description

This research was funded by the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (Grant No. AP08856540) as well as by the Latvian research council via the Latvian National Research Program under the topic ?High-Energy Physics and Accelerator Technologies?, Agreement No: VPP-IZM-CERN-2020/1-0002 for A.I. Popov. In addition, J. Purans is grateful to the ERAF project 1.1.1.1/20/A/057 while A. Platonenko was supported by Latvian Research Council No. LZP-2018/1-0214. The authors thank A. Lushchik and M. Lushchik for many useful discussions. The research was (partly) performed in the Institute of Solid State Physics, University of Latvia ISSP UL. ISSP UL as the Center of Excellence is supported through the Framework Program for European universities Union Horizon 2020, H2020-WIDESPREAD-01?2016?2017-TeamingPhase2 under Grant Agreement No. 739508, CAMART2 project.

yearjournalcountryeditionlanguage
2021-12-01Materials
10.3390/ma14237384http://dx.doi.org/10.3390/ma14237384