Related papers: First-Principles Theory for Schottky Barrier Physi…
We calculate the current spin polarisation and the interface resistance of Fe/GaAs and Fe/ZnSe (001) spin injection junctions from first principles, including also the possibility of a Schottky barrier. From our results of interface…
We consider a set of identical mobile point-like charges (counter-ions) confined to a domain with curved hard walls carrying a uniform fixed surface charge density, the system as a whole being electroneutral. Three domain geometries are…
Density-functional perturbation theory (DFPT) is nowadays the method of choice for the accurate computation of linear and non-linear response properties of materials from first principles. A notable advantage of DFPT over alternative…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
We report on the realization and top-gating of a two-dimensional electron system in a nuclear spin free environment using 28Si and 70Ge source material in molecular beam epitaxy. Electron spin decoherence is expected to be minimized in…
We develop a Monte Carlo model to study injection of spin-polarized electrons through a Schottky barrier from a ferromagnetic metal contact into a non-magnetic low-dimensional semiconductor structure. Both mechanisms of thermionic emission…
We describe and discuss the low-temperature resistivity (and the temperature-dependent inelastic scattering rate) of several different doped 2D semiconductor systems from the perspective of the Planckian hypothesis asserting that…
Making a metal contact to the two-dimensional semiconductor MoS2 without creating a Schottky barrier is a challenge. Using density functional calculations we show that, although the Schottky barrier for electrons obeys the Schottky-Mott…
A comprehensive current-voltage (I-V) characterization is performed for three different Schottky contacts; Pt, Ni and Ti, to unintentionally doped (UID) \{beta}-(Al0.19Ga0.81)2O3 grown by molecular beam epitaxy (MBE) on \{beta}-Ga2O3 for…
An alternative approach to density functional theory based on self-consistent field theory for ring polymers is applied to neutral atoms hydrogen to neon in their ground states. The spontaneous emergence of atomic shell structure and…
We formulate the Kohn-Sham density functional theory (KS-DFT) as a statistical theory in which the electron density is deter-mined from an average of correlated stochastic densities in a trace formula. The key idea is that it is sufficient…
We consider an infinite system of particles on the positive real line, initiated from a Poisson point process, which move according to Brownian motion up until the hitting time of a barrier. The barrier increases when it is hit, allowing…
To explore the potential of field-effect transistors (FETs) based on monolayers of the two-dimensional semiconducting channel(SC) for spintronics, the two most important issues are to ensure the formation of variable low resistive tunnel…
A system of first-order differential equations for a particle with nonzero mass and spin $S = 1$ is constructed. As distinct from the Proca-Duffin-Kemmer (PDK) equations, the system has the form of the dynamical equation…
We develop a first-principles framework for evaluating the fundamental length scales of superconductivity, namely the coherence length $\xi_0$ and the magnetic penetration depth $\lambda_\mathrm{L}$, within superconducting density…
The first passage time problem for Brownian motions hitting a barrier has been extensively studied in the literature. In particular, many incarnations of integral equations which link the density of the hitting time to the equation for the…
As a stationary solution of the Vlasov-Fokker-Planck equation, the Haissinski equation predicts the equilibrium line density of a bunch that circulates in a storage ring for a given wake function. This paper shows that some equations…
The electrical behavior of Ni Schottky barrier formed onto heavily doped (ND>1019 cm-3) n-type phosphorous implanted silicon carbide (4H-SiC) was investigated, with a focus on the current transport mechanisms in both forward and reverse…
A low Schottky barrier height (SBH) at source/drain contact is essential for achieving high drive current in atomic layer MoS2 channel based field-effect transistors. Approaches such as choosing metals with appropriate work functions and…
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review…