Related papers: Nature of hyperfine interactions in TbPc$_2$ singl…
Nuclear spin levels play an important role in understanding magnetization dynamics and implementation and control of quantum bits in lanthanide-based single-molecule magnets. We investigate the hyperfine and nuclear quadrupole interactions…
Molecular spin qubits with long spin coherence time as well as non-invasive operation methods on such qubits are in high demand. It was shown that both molecular electronic and nuclear spin levels can be used as qubits. In solid state…
The influence of hyperfine coupling to nuclear spins and of their quadrupolar splitting on the induced moment order in singlet ground state magnets is investigated. The latter are found among non-Kramers f electron compounds. Without…
Among the possible types of magnetic dipole interactions in molecular systems, couplings between nuclear motion and the nuclear spin have probably received the least attention in molecular spectroscopy. Although very small in comparison to…
We studied the effect of nuclear-quadrupole interactions on the field-free impulsive alignment of different asymmetric-top molecules. Our analysis is focused on the influence of the hyperfine- and rotational-energy-level structures. These…
Quantum tunneling dominates the low temperature magnetization dynamics in molecular magnets and presents features that are strongly system dependent. The current discussion is focused on the terbium(III) bis(phtalocyanine)…
We investigate how different chemical environment influences magnetic properties of terbium(III) (Tb)-based single-molecule magnets (SMMs), using first-principles relativistic multireference methods. Recent experiments showed that Tb-based…
The quantum resonances of an atom possessing a single valence electron which shows hyperfine interaction with the nucleus is investigated in the presence of a three dimensional magnetic quadrupole field. Particular emphasis is put on the…
Over the past two decades, several molecules have been explored as possible building blocks of a quantum computer, a device that would provide exponential speedups for a number of problems, including the simulation of large, strongly…
The study of highly charged electronic and muonic hydrogen-like ions, provides an intriguing way to probe the internal structure of their atomic nuclei. In this work, we use nuclear structure calculations to accurately calculate the…
Hyperfine-structure constants of odd Ra$^{+}$ due to the interactions of nuclear magnetic dipole, electric quadrupole, and magnetic octupole moments with the electrons are investigated in the framework of relativistic coupled-cluster method…
The invariant form of the hyperfine interaction between multipolar moments and the nuclear spin is derived, and applied to discuss possibilities to identify the antiferro-octupolar (AFO) moments by NMR experiments. The ordered phase of…
Single molecule magnets distinguish themselves in the field of quantum magnetism through the ability to combine fundamental research with promising applications, the evolution of quantum spintronics in the last decade exemplifying the…
The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing augmented plane wave plus local orbital (APW+lo) method. We investigated the…
The motivation to develop materials for quantum technologies has put exploration of novel quantum states of matter at the focus of several research fields, with particular efforts towards understanding and controlling the behaviour of…
An attractive feature of magnetic adatoms and molecules for nanoscale applications is their superparamagnetism, the preferred alignment of their spin along an easy axis preventing undesired spin reversal. The underlying magnetic anisotropy…
By leveraging the hyperfine interaction between the rotational and nuclear spin degrees of freedom, we demonstrate extensive magnetic control over the electric dipole moments, electric dipolar interactions, and ac Stark shifts of…
We present a general variational approach for computing the laser-induced rovibrational dynamics of molecules taking into account the hyperfine effects of the nuclear quadrupole coupling. The method combines the general variational approach…
We present a theoretical study of the time-dependent laser alignment of molecules taking into account the hyperfine coupling due to nuclear-quadrupole interactions. The coupling of nuclear spins to the overall angular momentum of molecules…
Phenomena that are highly sensitive to magnetic fields can be exploited in sensors and non-volatile memories. The scaling of such phenomena down to the single molecule level may enable novel spintronic devices. Here we report…