Strained empirical pseudopotential generation from hybrid density functionals: GaAs, InAs,GaSb, InSb

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buir.advisorBulutay, Ceyhun
dc.contributor.authorÇakan, Aslı
dc.date.accessioned2016-05-04T12:47:27Z
dc.date.available2016-05-04T12:47:27Z
dc.date.copyright2015-08
dc.date.issued2015-08
dc.date.submitted2015-08-21
dc.departmentDepartment of Physicsen_US
dc.descriptionCataloged from PDF version of thesis.en_US
dc.descriptionIncludes bibliographical references (leaves 42-49).en_US
dc.descriptionThesis (M.S.): Bilkent University, Department of Physics, İhsan Doğramacı Bilkent University, 2015.en_US
dc.description.abstractSelf-assembled quantum dots composed of III-V compounds receive considerable attention due to their potential applications on spintronics and quantum informa- tion processing. Here, lattice mismatch between two materials causes a remark- able strain and this subsequently affects not only carriers but also nuclear spins due to electric quadrupole interaction. In this thesis, the behavior of electronic band structure and deformation potentials under various strains are investigated in the family of semiconductors consisting of InAs, GaAs, InSb and GaSb. Com- putations are performed using semi-empirical pseudopotential method (EPM) by generating a new set of strain-compliant pseudopotentials. In order to both lead and validate EPM calculations, density functional theory based on hybrid functionals has been employed. Our results on hydrostatic and shear strain de- formation potentials obtained by either technique are in very good agreement with the experimental data. We demonstrate that the newly proposed empirical pseudopotentials perform well around band edges under anisotropic crystal de- formations. This paves the way for large-scale electronic structure computations involving lattice mismatched constituents.en_US
dc.description.degreeM.S.en_US
dc.description.provenanceSubmitted by Betül Özen (ozen@bilkent.edu.tr) on 2016-05-04T12:47:27Z No. of bitstreams: 1 10085258.pdf: 4832690 bytes, checksum: f23d270460fe8459dc1128431f743f86 (MD5)en
dc.description.provenanceMade available in DSpace on 2016-05-04T12:47:27Z (GMT). No. of bitstreams: 1 10085258.pdf: 4832690 bytes, checksum: f23d270460fe8459dc1128431f743f86 (MD5) Previous issue date: 2015-08en
dc.description.statementofresponsibilityby Aslı Çakan.en_US
dc.embargo.release2016-09-01
dc.format.extentxii, 55 leaves : charts.en_US
dc.identifier.itemidB151121
dc.identifier.urihttp://hdl.handle.net/11693/29063
dc.language.isoEnglishen_US
dc.publisherBilkent Universityen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectDeformation potentialen_US
dc.subjectAnisotropic strainen_US
dc.subjectElectronic band structureen_US
dc.subjectEmpirical pseudopotential methoden_US
dc.subjectDensity functional theoryen_US
dc.subjectHybrid functionalsen_US
dc.titleStrained empirical pseudopotential generation from hybrid density functionals: GaAs, InAs,GaSb, InSben_US
dc.title.alternativeHibrit yoğunluk fonksiyonellerinden gerinmeli yarı deneysel görünür potansiyel üretimi: GaAs, InAs, GaSb, InSben_US
dc.typeThesisen_US

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