Related papers: Molecular engineering of antiferromagnetic rings f…
Electronic structure calculations from first-principles are employed to design some new half-metallic fully-compensated ferrimagnets (or as they are widely known half-metallic antiferromagnets) susceptible of finding applications in…
High energy resolution spectroscopic studies of quantum magnets have proven to be extremely valuable in directly accessing magnetodynamics quantities, such as energy barriers, magnetic interactions, lifetime of excited states and…
The current proposals for the realization of quantum computer such as NMR, quantum dots and trapped ions are based on the using of an atom or an ion as one qubit. In these proposals a quantum computer consists from several atoms and the…
Molecular nanomagnets are compounds characterized by a high-spin magnetic core that is protected by organic ligands. They have recently gained attention as potential quantum information carriers in solid-state quantum computing platforms,…
The great success of point defects and dopants in semiconductors for quantum information processing has invigorated a search for molecules with analogous properties. Flexibility and tunability of desired properties in a large chemical space…
Multiferroics, which combine ferroelectric and magnetic order, offer a transformative platform for next-generation electronic devices. However, the intrinsic competition between the mechanisms driving ferroelectricity and magnetism in…
We study the triangular antiferromagnet Cu$_3$ in external electric fields, using symmetry group arguments and a Hubbard model approach. We identify a spin-electric coupling caused by an interplay between spin exchange, spin-orbit…
In this study, we explore the use of molecules and molecular electronics for quantum computing. We construct one-qubit gates using one-electron scattering in molecules, and two-qubit controlled-phase gates using electron-electron scattering…
Magnetization curves of two rectangular metal-organic coordination networks formed by the organic ligand TCNQ (7,7,8,8-tetracyanoquinodimethane) and two different (Mn and Ni) 3d transition metal atoms [M(3d)] show marked differences that…
Quantum spin rings represent an intriguing platform for studying unconventional magnetic order and exotic quantum phases, and they are also promising materials for emerging quantum technologies. Conventional spin systems consist of a set of…
A key to building functional devices on the basis of single molecule magnets in the framework of molecular electronics is the ability to deposit and study these molecules on a surface, because the structural, electronic and magnetic…
Topological quantum matter and spintronics research have been developed to a large extent independently. In this Review we discuss a new role that the antiferromagnetic order has taken in combining topological matter and spintronics. This…
Molecular nanomagnets are quantum spin systems potentially serving as qudits for future quantum technologies thanks to their many accessible low-energy states. At low temperatures, the primary source of error in these systems is pure…
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…
Kernel methods are of current interest in quantum machine learning due to similarities with quantum computing in how they process information in high-dimensional feature (Hilbert) spaces. Kernels are believed to offer particular advantages…
The molecular compound [Fe$_{2}$($\mu_{2}$-oxo)(C$_{3}$H$_{4}$N$_{2}$)$_{6}$(C$_{2}$O$_{4}$)$_{2}$] was designed and synthesized for the first time and its structure was determined using single-crystal X-ray diffraction. The magnetic…
Magnetic skyrmions are topological quasiparticles potentially useful for memory and computing devices. Antiferromagnetic (AF) skyrmions present no transverse deflection, making them suitable candidates for data storage applications. After…
The organometallic ring molecules Fe_6 and Fe_10 are leading examples of a class of nanoscopic molecular magnets, which have been of intense recent interest both for their intrinsic magnetic properties and as candidates for the observation…
CrN is observed to undergo a paramagnetic to antiferromagnetic transition accompanied by a shear distortion from cubic NaCl-type to orthorhombic structure. Our first-principle plane wave and ultrasoft pseudopotential calculations confirm…
Quantum Information processing by NMR with small number of qubits is well established. Scaling to higher number of qubits is hindered by two major requirements (i) mutual coupling among qubits and (ii) qubit addressability. It has been…