Related papers: Interaction of a CO molecule with a Pt monatomic w…
To investigate chemical reactivity of Cu atomic-scale structures, we performed simulations based on the generalized gradient approximation in the density functional theory. An atomic layer of Cu forming a triangular lattice (TL) was found…
We have fabricated and studied a ballistic one-dimensional p-type quantum wire using an undoped AlGaAs/GaAs heterostructure. The absence of modulation doping eliminates remote ionized impurity scattering and allows high mobilities to be…
Among various types of neuromorphic devices towards artificial intelligence, the electrochemical synaptic transistor emerges, in which the channel conductance is modulated by the insertion of ions according to the history of gate voltage…
In this study we investigate the structural and chemical changes of monatomic CoO$_2$ chains grown self-organized on the Ir(100) surface [P. Ferstl et al., PRL 117, 2016, 046101] and on Pt(100) under reducing and oxidizing conditions. By a…
The structure of CO adsorbates on the Rh(110) surface is studied at full coverage using first-principles techniques. The relative energies of different adsorbate geometries are determined by means of accurate structure optimizations. In…
We present a theory of tunneling and resonant transitions in one-dimensional molecular systems which is based on Green's function theory of electron sub-barrier scattering off the structural units (or functional groups) of a molecular…
In contrast to silicon-based transistors, single molecule junctions can be gated by simple mechanical means. Specifically, charge can be transferred between the junction's electrodes and its molecular bridge when the interelectrode distance…
We evaluate the distribution of Hall conductances in magnetic subbands of two-dimensional electron gas with Rashba spin-orbit (SO) coupling placed in a periodic potential and perpendicular magnetic field. In this semiconductor structure the…
We predict an unconventional spin-transfer torque (STT) acting on the magnetization of a free ferromagnetic (F) layer within N/TI/F vertical heterostructures which originates from strong spin-orbit coupling (SOC) on the surface of a…
Ferromagnetic films with perpendicular magnetic anisotropy are of interest in spintronics and superconducting spintronics. Perpendicular magnetic anisotropy can be achieved in thin ferromagnetic multilayer structures, when the anisotropy is…
The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…
The influence of an intramolecular proton transfer reaction on the conductance of a molecular junction is investigated employing a generic model, which includes the effects of the electric field of the gate and leads electrodes and the…
We study the conductance of a junction between the normal and superconducting segments of a nanowire, both of which are subjected to spin-orbit coupling and an external magnetic field. We directly compare the transport properties of the…
Motivated by recent experimental development, we investigate spin-orbit coupled repulsive Fermi atoms in a one-dimensional optical lattice. Using the density-matrix renormalization group method, we calculate momentum distribution function,…
Using orbital angular momentum (OAM) currents in nanoelectronics, for example, for magnetization manipulation via spin-orbit torque (SOT), represents a growing field known as "spin-orbitronics". Here, using the density functional theory…
We investigate how two-particle interactions affect the electronic transport through meso- and nanoscopic systems of two different types: quantum dots with local Coulomb correlations and quasi one-dimensional quantum wires of interacting…
We present an exact theoretical study of the effect of the spin-orbit (SO) interaction on the band structure and low temperature transport in long quasi-one-dimensional electron systems patterned in two-dimensional electron gases in zero…
In this work, we employ first-principles simulations to investigate the spin polarization of CeO$_2$-(111) surface and its impact on interactions between a ceria support and Pt nanoparticles. For the first time, we report that the…
Magnetism in 2D networks of the acetylene-bridged transition metal porphyrins M(P)-2(C-C)-2 (denoted P-TM), and oxo-TM-porphyrins OM(P)-2(C-C)-2 (denoted P-TMO), is studied with the density functional theory (DFT) and the self-interaction…
The thermoelectric transport through a molecular bridge is discussed, with an emphasis on the effects of inelastic processes of the transport electrons caused by the coupling to the vibrational modes of the molecule. In particular it is…