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BandAlignmentBootCamp

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Bath

Bath

United Kingdom

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A short intensive course on how to construct energy-band-alignment diagrams from DFT calculations of solid-state materials. Energy-band-alignment diagrams are critical for designing and understanding any semiconductor device; DFT is one of the most powerful accessible tools for calculating semiconductor electronic structure. This course, based on the MacroDensity code, will show you how to use DFT to construct these powerful diagrams for solid materials, nanocrystals and porous frameworks.

Background to band alignment at materials interfaces

  • The importance of band alignment
  • Basic theories of band alignment
  • Band alignment in real systems

Overview of electronic structure calculations of energy levels

  • Energy levels in DFT
  • The problem of absolute references
  • Band alignment approaches

Hands on practicals

  • Heterojunctions
  • Nanocrystals
  • Porous materials




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Bath

Bath

United Kingdom

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