Research Topics

• Photovoltaics
• Density Functional Theory
• Pseudopotential Theory
• Many-Electron and Exchange Correlation Effects
• Quantum Structural Diagrams and Orbital Radii
• Order-Disorder Transitions
• Phonons and Excitons
• Quantum Nanostructures: Boxes, Films, Wires
• Superlattices and quantum wells
• Physics of 2D Epitaxial Stability
• Electron Density Distributions in Solids
• Development of Theoretical and Computational Techniques
  • Total Energy, Eigenvalues, and Forces in Solids
  • Statistical Mechanics of Alloys
  • Electronic Structure of Random Networks
  • Total Energy, Eigenvalues, and Forces in Solids
• Electronic Structure of Specific Bulk Solids
  • Binary semiconductors and insulators
  • Ternary chalcopyrites
  • Metals and intermetallics
  • Layered transition metal compounds
  • Filled tetrahedral structures
  • Magnetic semiconductors
  • Molecular solids
  • The zincblende/wurtzite system
  • Nitrides
  • Oxides
  • Predicting new materials
• Electronic structure of surfaces and interfaces
  • Clean semiconductor surfaces and surface steps
  • Metal-semiconductor interfaces and Schottky barriers
  • Semiconductor-semiconductor heterojunction band offsets
• Electronic structure of defects and impurities
  • Main group defects and impurities in semiconductors
    
  • Transition-metal impurities in semiconductors
    
  • Impurity magnetism
    
• Electronic structure of alloys
  • Transition metal alloys
  • Semiconductor alloys: Optical properties and bowing
  • Short-Range Order in Alloys
  • Semiconductor alloys: Atomic-scale structure and relaxation
  • Spontaneous ordering in semiconductor alloys
• Statistical Mechanics and thermodynamics of alloys and superlattices
  • Transition metal alloys
  • Isovalent semiconductor alloys
  • Ternary and non-isovalent semiconductor alloys
  • Structural stability and interfacial roughness of superlattices
  • High pressure effects

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