• About
  • Policies
  • What is openaccess
  • Library
  • Contact
Advanced search
      View Item 
      •   BUIR Home
      • University Library
      • Bilkent Theses
      • Theses - Department of Physics
      • Dept. of Physics - Master's degree
      • View Item
      •   BUIR Home
      • University Library
      • Bilkent Theses
      • Theses - Department of Physics
      • Dept. of Physics - Master's degree
      • View Item
      JavaScript is disabled for your browser. Some features of this site may not work without it.

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

      Thumbnail
      Embargo Lift Date: 2016-09-01
      View / Download
      4.6 Mb
      Author
      Çakan, Aslı
      Advisor
      Bulutay, Ceyhun
      Date
      2015-08
      Publisher
      Bilkent University
      Language
      English
      Type
      Thesis
      Item Usage Stats
      104
      views
      403
      downloads
      Abstract
      Self-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.
      Keywords
      Deformation potential
      Anisotropic strain
      Electronic band structure
      Empirical pseudopotential method
      Density functional theory
      Hybrid functionals
      Permalink
      http://hdl.handle.net/11693/29063
      Collections
      • Dept. of Physics - Master's degree 160
      Show full item record

      Browse

      All of BUIRCommunities & CollectionsTitlesAuthorsAdvisorsBy Issue DateKeywordsTypeDepartmentsThis CollectionTitlesAuthorsAdvisorsBy Issue DateKeywordsTypeDepartments

      My Account

      Login

      Statistics

      View Usage StatisticsView Google Analytics Statistics

      Bilkent University

      If you have trouble accessing this page and need to request an alternate format, contact the site administrator. Phone: (312) 290 1771
      Copyright © Bilkent University - Library IT

      Contact Us | Send Feedback | Off-Campus Access | Admin | Privacy