Theory and Simulation Methods for Electronic and Phononic Transport in Thermoelectric Materials
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Beschreibung
This book introduces readers to state-of-the-art theoretical and simulation techniques for determining transport in complex band structure materials and nanostructured-geometry materials, linking the techniques developed by the electronic transport community to the materials science community. Starting from the semi-classical Boltzmann Transport Equation method for complex band structure materials, then moving on to Monte Carlo and fully quantum mechanical models for nanostructured materials, the book addresses the theory and computational complexities of each method, as well as their advantages and capabilities. Presented in language that is accessible to junior computational scientists, while including enough detail and depth with regards to numerical implementation to tackle modern research problems, it offers a valuable resource for computational scientists and postgraduate researchers whose work involves the theory and simulation of electro-thermal transport in advanced materials.
This book introduces readers to state-of-the-art theoretical and simulation techniques for determining transport in complex band structure materials and nanostructured-geometry materials, linking the techniques developed by the electronic transport community to the materials science community. Starting from the semi-classical Boltzmann Transport Equation method for complex band structure materials, then moving on to Monte Carlo and fully quantum mechanical models for nanostructured materials, the book addresses the theory and computational complexities of each method, as well as their advantages and capabilities. Presented in language that is accessible to junior computational scientists, while including enough detail and depth with regards to numerical implementation to tackle modern research problems, it offers a valuable resource for computational scientists and postgraduate researchers whose work involves the theory and simulation of electro-thermal transport in advanced materials.
Describes transport techniques that uniquely blend length scales and physical phenomena Explores scales ranging from atomistic to continuum, and from quantum mechanical to the fully diffusive regime Builds new bridges between the electronic/phononic transport communities and the electronic/phononic structure calculation communities Offers researchers and graduate students essential guidance on electro-thermal transport computation in thermoelectric materials
Autor*in
Neophytos Neophytou
Themen in »Theory and Simulation Methods for Electronic and Phononic Transport in Thermoelectric Materials«
Thermoelectric Materials Computation Electronic Transport Methods Phonon Transpart Methods Nanostructured Thermoelectrics Design Machine Learning for Thermoelectrics