相关论文: Negative Differential Resistance in Spin-Crossover…
The ongoing miniaturization in nanoscience and -technology challenges the sensitivity and selectivity of experimental analysis methods to the ultimate level of single atoms and molecules. A promising new approach, addressed here, focuses on…
The quantum conductance properties of pyrene molecule and its silicone-doped variant between semi-infinite aluminum nano-chains have been investigated by using the density functional theory (DFT) combined with the non-equilibrium Green…
We discuss advantages and limitations of the spin noise spectroscopy for characterization of interacting quantum dot systems on specific examples of individual singly and doubly charged quantum dot molecules (QDMs). It is shown that all the…
Antiferromagnetic materials promise improved performance for spintronic applications, as they are robust against external magnetic field perturbations and allow for faster magnetization dynamics compared to ferromagnets. The direct…
We report on the longitudinal magnetoresistance (MR) in thin metal films on an Ising-type antiferromagnetic insulator, Na5Co15.5Te6O36 (NCTO). Steep changes in the MR spectra with hysteresis were observed at spin-flip transitions driven by…
Layered 5d transition metal oxides (TMOs) have attracted significant interest in recent years because of the rich physical properties induced by the interplay between spin-orbit coupling, bandwidth and on-site Coulomb repulsion. In Sr2IrO4,…
Simulating granular materials composed of non-spherical particles remains a major challenge in discrete element method (DEM) simulations due to the complexity of contact detection and rotational dynamics, rendering large-scale simulations…
We derive the non-adiabatic ring polymer molecular dynamics (RPMD) approach in the phase space of the SU(N) Lie Group. This method, which we refer to as the spin mapping non-adiabatic RPMD (SM-NRPMD), is based on the spin-mapping formalism…
We study the spin-crossover molecule Fe(phen)$_2$(NCS)$_2$ using density functional theory (DFT) plus dynamical mean-field theory, which allows access to observables not attainable with traditional quantum chemical or electronic structure…
Spin-disorder resistivity of Fe and Ni is studied using the noncollinear density functional theory. The Landauer conductance is averaged over random disorder configurations and fitted to Ohm's law. The distribution function is approximated…
Molecular contacts are generally poorly conducting because their energy levels tend to lie far from the Fermi energy of the metal contact, necessitating undesirably large gate and bias voltages in molecular electronics applications.…
Single-ion magnetic anisotropy in molecular magnets leads to spin flip excitations that can be measured by inelastic scanning tunneling microscope (STM) spectroscopy. Here I present a semi ab initio scheme to compute the spectral features…
Non-equilibrium Greens function techniques (NEGF) combined with Density Functional Theory (DFT) calculations have become a standard tool for the description of electron transport through single molecule nano-junctions in the coherent…
We performed nuclear magnetic resonance (NMR) measurements to investigate the evolution of spin-density-wave (SDW) and superconducting (SC) states upon electron doping in CaFe_{1-x}Co_{x}AsF, which exhibits an intermediate phase diagram…
SrMnO$_{3}$ (SMO) is a magnetic insulator and predicted to exhibit a multiferroic phase upon straining. Strained films of SMO display a wide range of magnetic orders, ranging from G-type to C-and A-type, indicative of competing magnetic…
Scanning tunneling microscopy (STM) can be used to detect inelastic spin transitions in magnetic nano-structures comprising only a handful of atoms. Here we demonstrate that STM can uniquely identify the electrostatic spin crossover effect,…
We propose a novel concept of obtaining oscillations with frequencies in very-high frequency (VHF) and ultra-high frequency (UHF) bands. A traditional spin torque nano-oscillator (STNO) consists of at least one pinned layer (PL) and one…
We present a survey of the structural and magnetic properties of submonolayer transition metal dioxides on the (001) surfaces of the heavy face-centered cubic (fcc) noble metals Ir and Pt performed by spin-averaged scanning tunneling…
We study the spin Hall magnetoresistance (SMR) in Pt grown $\textit{in situ}$ on CoFe$_2$O$_4$ (CFO) ferrimagnetic insulating (FMI) films. A careful analysis of the angle-dependent and field-dependent longitudinal magnetoresistance…
Two-terminal spintronic devices remain challenging to model under realistic operating conditions, where the interplay of complex electronic structures, correlation effects and bias-driven non-equilibrium dynamics may significantly impact…