First Principles Modelling of the Thermoelectric Properties of Half-Heusler Alloys

Research output: ThesisDoctoral Thesis

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Original languageEnglish
QualificationPh.D.
Awarding Institution
  • Royal Holloway, University of London
Supervisors/Advisors
  • Refson, Keith, Supervisor
  • Meeson, Phil, Supervisor
Award date1 Feb 2022
Publication statusUnpublished - 2022

Keywords

  • THERMOELECTRIC-POWER
  • physics
  • HALF-HEUSLER COMPOUNDS
  • condensed matter
  • first principles
  • density functional theory (DFT)
  • lattice dynamics
  • Phonons
  • thermal conductivity
  • electronic structure
  • band structure
  • INELASTIC NEUTRON-SCATTERING
  • waste heat recovery
  • boltzmann transport
  • simulation

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