Related papers: Optimized Multiple Quantum MAS Lineshape Simulatio…
Many molecular magnetic clusters, such as single-molecule magnets, are characterized by spin ground states with defined total spin S exhibiting zero-field-splittings. In this work, the spectroscopic intensities of the transitions within the…
Electron Wigner solids (WSs)1-12 provide an ideal system for understanding the competing effects of electron-electron and electron-disorder interactions, a central unsolved problem in condensed matter physics. Progress in this topic has…
Multirate characterization of spin responses in nuclear magnetic resonance (NMR) is a promising approach to fingerprinting complex molecules in the presence of multiple relaxation mechanisms. Here we present experimental and theoretical…
We use multiple quantum (MQ) NMR dynamics of a gas of spin-carrying molecules in nanocavities at high and low temperatures for an investigation of many-particle entanglement. A distribution of MQ NMR intensities is obtained at high and low…
The full design of relevant systems for quantum applications, ranging from quantum simulation to sensing, is presented using a combination of atomistic methods. A prototypical system features a two-dimensional ordered distribution of spins…
Configuration-constrained calculations of potential-energy surfaces in even-even superheavy nuclei reveal systematically the existence at low excitation energies of multi-quasiparticle states with deformed axially symmetric shapes and large…
We study a model of spins 1/2 on a square lattice, generalizing the quantum compass model via the addition of perturbing Heisenberg interactions between nearest neighbors, and investigate its phase diagram and magnetic excitations. This…
Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast…
The nuclear spin is a prime candidate for quantum information applications due to its weak coupling to the environment and inherently long coherence times. However, this weak coupling also challenges the addressability of the nuclear spin.…
The procedure for simulating the nuclear magnetic resonance spectrum linked to the spin system of a molecule for a certain nucleus entails diagonalizing the associated Hamiltonian matrix. As the dimensions of said matrix grow exponentially…
Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it…
When the motion of electrons is restricted to a plane under a perpendicular magnetic field B, a variety of quantum phases emerge at low temperatures whose properties are dictated by the Coulomb interaction and its interplay with disorder.…
With the latest advances in quantum computing technology, we are gradually moving from the noisy intermediate-scale quantum (NISQ) era characterized by hardware limited in the number of qubits and plagued with quantum noise, to the age of…
As in the density matrix renormalization group (DMRG) method, approximating many-body wave function of electrons using a matrix product state (MPS) is a promising way to solve electronic structure problems. The expressibility of an MPS is…
Magnetic spin resonance is a key non-invasive sensing and imaging technique across the life-, material- and fundamental sciences with further medical and commercial applications. Recent advances using paramagnetic color centers enable…
Magnetic molecules, modelled as finite-size spin systems, are test-beds for quantum phenomena and could constitute key elements in future spintronics devices, long-lasting nanoscale memories or noise-resilient quantum computing platforms.…
Working with nuclear magnetic resonance (NMR) in quadrupolar spin systems, in this paper we transfer the concept of atomic coherent state to the nuclear spin context, where it is referred to as pseudo-nuclear spin coherent state…
Given an ensemble of n spins, at least some of which are partially polarized, we investigate the sharing of this polarization within a subspace of k spins. We assume that the sharing results in a pseudopure state, characterized by a single…
The magnetic phases of the ideal spin-1/2 triangular-lattice antiferromagnet Ba$_3$CoSb$_2$O$_9$ are identified and studied using $^{135,137}$Ba nuclear magnetic resonance (NMR) spectroscopy in magnetic fields ranging to 30T, oriented…
In this work, we study two different quantum simulators composed of molecules with dipole-dipole interaction through various theoretical and numerical tools. Our first result provides knowledge upon the quantum order by disorder effect of…