129 citations · 912 across the 25 of their papers we have counts for
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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…
The influence of non-idealities on the thermoelectric power factor of nanostructured superlattices
Mischa Thesberg, Mahdi Pourfath, Hans Kosina +1
Cross-plane superlattices composed of nanoscale layers of alternating potential wells and barriers have attracted great attention for their potential to provide thermoelectric powe…
Gated Si nanowires for large thermoelectric power factors
Neophytos Neophytou, Hans Kosina
We investigate the effect of electrostatic gating on the thermoelectric power factor of p-type Si nanowires (NWs) of up to 20nm in diameter in the [100], [110] and [111] crystallog…
Thermal conductivity of silicon nanomeshes: Effects of porosity and roughness
Stefanie Wolf, Neophytos Neophytou, Hans Kosina
We theoretically investigate thermal conductivity in silicon nanomeshes using Monte Carlo simulations of phonon transport. Silicon membranes of 100nm thickness with randomly locate…
Bandstructure and mobility variations in p-type Silicon nanowires under electrostatic gate field
Neophytos Neophytou, Oskar Baumgartner, Zlatan Stanojevic +1
The sp3d5s*-spin-orbit-coupled atomistic tight-binding (TB) model is used for the electronic structure calculation of Si nanowires (NWs), self consistently coupled to a 2D Poisson…
Optimizing Thermoelectric Power Factor by Means of a Potential Barrier
Neophytos Neophytou, Hans Kosina
Large efforts in improving thermoelectric energy conversion are devoted to energy filtering by nanometer size potential barriers. In this work we perform an analysis and optimizati…
On the interplay between electrical conductivity and Seebeck coefficient in ultra-narrow silicon nanowires
Neophytos Neophytou, Hans Kosina
We analyze the effect of low dimensionality on the electrical conductivity (σ) and Seebeck coefficient (S) in ultra-narrow Si nanowires (NWs) by employing atomistic considerations…
Large Thermoelectric Power Factor in P-type Si (110)/[110] Ultra-Thin-Layers Compared to Differently Oriented Channels
Neophytos Neophytou, Hans Kosina
Using atomistic electronic structure calculations and Boltzmann semi-classical transport we compute the thermoelectric power factor of ultra-thin-body p-type Si layers of thickness…
Engineering Enhanced Thermoelectric Properties in Zigzag Graphene Nanoribbons
Hossein Karamitaheri, Neophytos Neophytou, Mahdi Pourfath +2
We theoretically investigate the thermoelectric properties of zigzag graphene nanoribbons in the presence of extended line defects, substrate impurities and edge roughness along th…
Study of Thermal Properties of Graphene-Based Structures Using the Force Constant Method
Hossein Karamitaheri, Neophytos Neophytou, Mahdi Pourfath +1
The thermal properties of graphene-based materials are theoretically investigated. The fourth-nearest neighbor force constant method for phonon properties is used in conjunction wi…
Numerical study of the thermoelectric power factor in ultra-thin Si nanowires
Neophytos Neophytou, Hans Kosina
Low dimensional structures have demonstrated improved thermoelectric (TE) performance because of a drastic reduction in their thermal conductivity, κl. This has been observed for a…
Hole mobility increase in ultra-narrow Si channels under strong (110) surface confinement
Neophytos Neophytou, Hans Kosina
We report on the hole mobility of ultra-narrow [110] Si channels as a function of the confinement length scale. We employing atomistic bandstructure calculations and linearized Bol…
Atomistic simulations of low-field mobility in Si nanowires: Influence of confinement and orientation
Neophytos Neophytou, Hans Kosina
A simulation framework that couples atomistic electronic structures to Boltzmann transport formalism is developed and applied to calculate the transport characteristics of thin sil…