Related papers: Spin decontamination for magnetic dipolar coupling…
We theoretically investigate the hyperfine-induced decoherence in a pair of spin-cluster qubits, consisting of two exchange-coupled heterometallic wheels. We identify two distinct regimes in the decoherence of intermolecular entanglement…
Herein we develop a simple first-principles methodology to determine the modulation that vibrations exert on spin energy levels, a key for the rational design of high-temperature molecular spin qubits and single-molecule magnets. This…
Single magnetic molecules may be the smallest functional magnets. An electric-field controllable spin state of magnetic molecules is of fundamental importance for applications while its realization remains challenging. To date the observed…
Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and…
We develop a drift-diffusion equation that describes electron spin polarization density in two-dimensional electron systems. In our approach, superpositions of spin-up and spin-down states are taken into account, what distinguishes our…
The dynamics and decoherence of an electronic spin-1/2 qubit coupled to a bath of nuclear spins via hyperfine interactions in a quantum dot is studied. We show how exact results from the integrable solution can be used to understand the…
The accurate description of open-shell molecules, in particular of transition metal complexes and clusters, is still an important challenge for quantum chemistry. While density-functional theory (DFT) is widely applied in this area, the…
Semiconductor qubits are appealing for building quantum processors as they may be densely integrated due to small footprint. However, a high density raises the issue of noise correlated across different qubits, which is of practical concern…
The effects of nuclear field and spin-orbit interaction on dense coding and swap operation are studied in detail for both the antiferromagnetic (AFM) and ferromagnetic (FM) coupling cases. The conditions for a valid dense coding and under…
The ultra-fast demagnetization of small iron clusters initiated by an intense optical excitation is studied with time-dependent spin density functional theory (TDSDFT). In particular we investigate the effect of the spin-orbit interaction…
We study the decay of entanglement of quantum dot electron-spin qubits under hyperfine interaction mediated decoherence. We show that two qubit entanglement of a single entangled initial state may exhibit decay characteristic of the two…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
We study a magnetic impurity embedded in a correlated electron system using the density-matrix renormalization group method. The correlated electron system is described by the one-dimensional Hubbard model. At half filling, we confirm that…
Modifications of spin-splitting dispersion relations and density of states for electrons in non-symmetric heterostructures under in-plane magnetic field are studied within the envelope function formalism. Spin-orbit interactions, caused by…
We describe an approach to electrically control the strong interaction between a single electron spin and the vibrational motion of a suspended carbon nanotube resonator. The strength of the deflection-induced spin-phonon coupling is…
We investigate the electric manipulation of a single electron spin in a single gate-defined quantum dot. We observe that so-far neglected differences between the hyperfine and spin-orbit mediated electric dipole spin resonance conditions…
We review our investigation of the spin dynamics for two electrons confined to a double quantum dot under the influence of the hyperfine interaction between the electron spins and the surrounding nuclei. Further we propose a scheme to…
We extend to strongly correlated molecular systems the recently introduced basis-set incompleteness correction based on density-functional theory (DFT) [E. Giner et al., J. Chem. Phys. 149, 194301 (2018)]. This basis-set correction relies…
We propose a mechanism for the recently reported destabilization by an in-plane magnetic field of the conducting phase of low density electrons in 2D. We apply our self-consistent approach based on the memory function formalism to the fully…
Electron and nuclear spins are very promising candidates to serve as quantum bits (qubits) for proposed quantum computers, as the spin degrees of freedom are relatively isolated from their surroundings, and can be coherently manipulated…