64 citations · 195 across the 5 of their papers we have counts for
5 papers
Electron and Hole Mobility of SnO2 from Full-Band Electron-Phonon and Ionized Impurity Scattering Computations
Zhen Li, Patrizio Graziosi, Neophytos Neophytou
Mobility is a key parameter for SnO2, which is extensively studied as a practical transparent oxide n-type semiconductor. In experiments, the mobility of electrons in bulk SnO2 sin…
ElecTra Code: Full-Band Electronic Transport Properties of Materials
Patrizio Graziosi, Zhen Li, Neophytos Neophytou
This paper introduces ElecTra, an open-source code which solves the linearized Boltzmann transport equation in the relaxation time approximation for charge carriers in a full-band…
Bipolar conduction asymmetries lead to ultra-high thermoelectric power factor
Patrizio Graziosi, Zhen Li, Neophytos Neophytou
Low band gap thermoelectric materials suffer from bipolar effects at high temperatures, with increased electronic thermal conductivity and reduced Seebeck coefficient, leading to r…
Deformation potential extraction and computationally efficient mobility calculations in silicon from first principles
Zhen Li, Patrizio Graziosi, Neophytos Neophytou
We present a first-principles framework to extract deformation potentials in Silicon based on density-functional theory (DFT) and density-functional perturbation theory (DFPT). We…
Hierarchically nanostructured thermoelectric materials: Challenges and opportunities for improved power factors
Neophytos Neophytou, Vassilios Vargiamidis, Samuel Foster +9
The field of thermoelectric materials has undergone a revolutionary transformation over the last couple of decades as a result of the ability to nanostructure and synthesize myriad…