Zobrazeno 1 - 10
of 149
pro vyhledávání: '"Stokbro, Kurt"'
The Schottky barrier of a metal-semiconductor junction is one of the key quantities affecting the charge transport in a transistor. The Schottky barrier height depends on several factors, such as work function difference, local atomic configuration i
Externí odkaz:
http://arxiv.org/abs/1911.09521
Autor:
Smidstrup, Søren, Markussen, Troels, Vancraeyveld, Pieter, Wellendorff, Jess, Schneider, Julian, Gunst, Tue, Verstichel, Brecht, Stradi, Daniele, Khomyakov, Petr A., Vej-Hansen, Ulrik G., Lee, Maeng-Eun, Chill, Samuel T., Rasmussen, Filip, Penazzi, Gabriele, Corsetti, Fabiano, Ojanperä, Ari, Jensen, Kristian, Palsgaard, Mattias L. N., Martinez, Umberto, Blom, Anders, Brandbyge, Mads, Stokbro, Kurt
Publikováno v:
S{\o}ren Smidstrup et. al. 2020 J. Phys.: Condens. Matter 32 015901
QuantumATK is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers. While different aspects and individual modules of the platform have been previously pr
Externí odkaz:
http://arxiv.org/abs/1905.02794
Publikováno v:
Phys. Rev. B 99, 155420 (2019)
Using density functional theory calculations and the Greens's function formalism, we report the existence of magnetic edge states with a non-collinear spin texture present on different edges of the 1T' phase of the three monolayer transition metal di
Externí odkaz:
http://arxiv.org/abs/1812.09082
Autor:
Nikolic, Branislav K., Dolui, Kapildeb, Petrović, Marko, Plecháč, Petr, Markussen, Troels, Stokbro, Kurt
Publikováno v:
Chapter in W. Andreoni and S. Yip (Eds.) Handbook of Materials Modeling (Springer, Cham, 2019)
We review a unified approach for computing: (i) spin-transfer torque in magnetic trilayers like spin-valves and magnetic tunnel junction, where injected charge current flows perpendicularly to interfaces; and (ii) spin-orbit torque in magnetic bilaye
Externí odkaz:
http://arxiv.org/abs/1801.05793
Publikováno v:
Phys. Rev. Applied 10, 014026 (2018)
We present a straightforward and computationally cheap method to obtain the phonon-assisted photocurrent in large-scale devices from first-principles transport calculations. The photocurrent is calculated using nonequilibrium Green's function with li
Externí odkaz:
http://arxiv.org/abs/1801.03683
Autor:
Jensen, Anders, Strange, Mikkel, Smidstrup, Søren, Stokbro, Kurt, Solomon, Gemma C., Reuter, Matthew G.
The function of nano-scale devices critically depends on the choice of materials. For electron transport junctions it is natural to characterize the materials by their conductance length dependence, $\beta$. Theoretical estimations of $\beta$ are mad
Externí odkaz:
http://arxiv.org/abs/1708.07110
Autor:
Smidstrup, Søren, Stradi, Daniele, Wellendorff, Jess, Khomyakov, Petr A., Vej-Hansen, Ulrik G., Lee, Maeng-Eun, Ghosh, Tushar, Jónsson, Elvar, Jónsson, Hannes, Stokbro, Kurt
Publikováno v:
Phys. Rev. B 96, 195309 (2017)
We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopotential localized basis set approach. In this method, the system is descr
Externí odkaz:
http://arxiv.org/abs/1707.02141
Publikováno v:
Phys. Rev. B 96, 161404 (2017)
Phonon-assisted tunneling plays a crucial role for electronic device performance and even more so with future size down-scaling. We show how one can include this effect in large-scale first-principles calculations using a single "special thermal disp
Externí odkaz:
http://arxiv.org/abs/1706.09290
Autor:
Crovetto, Andrea, Palsgaard, Mattias, Gunst, Tue, Markussen, Troels, Stokbro, Kurt, Brandbyge, Mads, Hansen, Ole
We present evidence that band gap narrowing at the heterointerface may be a major cause of the large open circuit voltage deficit of Cu$_2$ZnSnS$_4$/CdS solar cells. Band gap narrowing is caused by surface states that extend the Cu$_2$ZnSnS$_4$ valen
Externí odkaz:
http://arxiv.org/abs/1702.04229
The geometry and structure of an interface ultimately determines the behavior of devices at the nanoscale. We present a generic method to determine the possible lattice matches between two arbitrary surfaces and to calculate the strain of the corresp
Externí odkaz:
http://arxiv.org/abs/1702.00933