Related papers: Nature of hyperfine interactions in TbPc$_2$ singl…
Molecular nanomagnets show clear signatures of coherent behavior and have a wide variety of effective low-energy spin Hamiltonians suitable for encoding qubits and implementing spin-based quantum information processing. At the nanoscale,…
We present a computational investigation of the intramolecular exchange coupling in [LnPc$_2$]$^0$ (Ln = Tb, Dy, Ho, and Er) between the Ln$^{3+}$ 4f electrons and the spin-1/2 radical on the phthalocyanine ligands. A series of ab initio…
The magnetic tetrapyrrole molecules (such as porphyrins and phthalocyanines) with an active transition metal atom in their centre are currently intensively studied as prosperous potential elements of devices for high-density information…
Large-amplitude molecular motions which occur during isomerization can cause significant changes in electronic structure. These variations in electronic properties can be used to identify vibrationally-excited eigenstates which are…
We present a model which describes the properties of odd-even nuclei with one nucleon more, or less, with respect to the magic number. In addition to the effects related to the unpaired nucleon, we consider those produced by the excitation…
We study the mechanism of dynamical nuclear spin polarization by hyperfine interaction in spin-blocked double quantum dot system. We calculate the hyperfine transition rates and solve the master equations for the nuclear spins.…
Nuclear spins of dopant atoms in semiconductors are promising candidates as quantum bits, due to the long lifetime of their quantum states. Conventionally, coherent control of nuclear spins is done using ac magnetic fields. Using the…
Three-dimensional topological insulators are an important class of modern materials, and a strong spin-orbit coupling is involved in making the bulk electronic states very different from those near the surface. Bi$_2$Se$_3$ is a model…
The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the…
Controlling electronic transport through a single-molecule junction is crucial for molecular electronics or spintronics. In magnetic molecular devices, the spin degree-of-freedom can be used to this end since the magnetic properties of the…
Nuclear spins are among the potential candidates prospected for quantum information technology. A recent breakthrough enabled to atomically resolve their interaction with the electron spin, the so-called hyperfine interaction, within…
Nuclear quadrupole interaction extends the limits imposed by hyperfine interaction on the spin coherence of the electron and nuclei in a quantum dot. The strain-induced nuclear quadrupole interaction suppresses the nuclear spin flip and…
We demonstrate that ultracold symmetric top molecules loaded into an optical lattice can realize highly tunable and unconventional models of quantum magnetism, such as an XYZ Heisenberg spin model. We show that anisotropic dipole-dipole…
Magnetic nanoparticles (MNPs) exhibiting superparamagnetic properties might generate large magnetic dipole-dipole interaction with electron spins in organic semiconductors (OSECs). This concept could be considered analogous to the effect of…
We investigate interactions between the proton spin, the deuteron spin, and the orbital angular momentum in the electronic ground state of the HD molecule. These interactions lead to hyperfine splittings of molecular energy levels. Our…
Laser cooled lanthanide atoms are ideal candidates with which to study strong and unconventional quantum magnetism with exotic phases. Here, we use state-of-the-art closed-coupling simulations to model quantum magnetism for pairs of…
Single crystal neutron diffraction, inelastic neutron scattering, bulk magnetization measurements, and first-principles calculations are used to investigate the magnetic properties of the honeycomb lattice $\rm Tb_2Ir_3Ga_9$. While the…
Spin-transfer and spin-orbit torques allow controlling magnetic degrees of freedom in various materials and devices. However, while the transfer of angular momenta between electrons has been widely studied, the contribution of nuclear spins…
Hyperfine interactions between electron and nuclear spins have been widely used in material science, organic chemistry, and structural biology as a sensitive probe to the local chemical environment through spatial identification of nuclear…
A spin system is considered with a Hamiltonian typical of molecular magnets, having dipole-dipole interactions and a single-site magnetic anisotropy. In addition, spin interactions through the common radiation field are included. A fully…