Related papers: Unique determination of localized basis in molecul…
Models which allow an explicit application to structurally modulated substances are reviewed within the frame of a symmetry-based approach starting from discrete lattice theory. Focus is set on models formulated in terms of local variables…
The prediction and realization of magnetic excitations driven by electrical currents via the spin transfer torque effect, enables novel magnetic nano-devices where spin-waves can be used to process and store information. The functional…
We develop a structured theoretical framework used in our recent articles [Eur. Phys. J. B 92, 93 (2019) and Phys. Rev. B 101, 094427 (2020)] to characterize the unusual behavior of the magnetic spectrum, magnetization and magnetic…
Spin systems are fundamental models of statistical physics that provide insight into collective behavior across scientific domains. Their interest to computer science stems in part from the deep connection between the phase transitions they…
We review our theoretical work on the dynamics of a localized electron spin interacting with an environment of nuclear spins. Our perturbative calculation is valid for arbitrary polarization p of the nuclear spin system and arbitrary…
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
Lifted Kramers spin-degeneracy has been among the central topics of condensed-matter physics since the dawn of the band theory of solids. It underpins established practical applications as well as current frontier research, ranging from…
Numerical modelling of coherent spin relaxation in nanomagnets, formed by magnetic molecules of high spins, is accomplished. Such a coherent spin dynamics can be realized in the presence of a resonant electric circuit coupled to the magnet.…
The study of how spin interacts with lattice vibrations and relaxes to equilibrium provides unique insights on its chemical environment and the relation between electronic structure and molecular composition. Despite its importance for…
Systems of atoms or molecules can possess nonzero total spins that can be employed in spintronics, for instance for creating memory devices, which requires to be able to efficiently regulate spin directions. This article presents some…
Single molecular magnets (SMMs) and Metal-Organic Frameworks (MOFs) attract significant interest due to their potential in quantum information processing, scalable quantum computing, and extended lifetimes and coherence times. The limiting…
Nonlinear spin systems exhibit rich and exotic dynamical phenomena, offering promising applications ranging from spin masers and time crystals to precision measurement. Recent theoretical work [T. Wang et al., Commun. Phys. 8, 41 (2025)]…
A spin Hamiltonian, which characterizes interatomic interactions between spin moments, is highly valuable in predicting and comprehending the magnetic properties of materials. A deeper understanding of the microscopic origin of magnetic…
Polarized neutron diffraction experiments on an organic magnetic material reveal a highly skewed distribution of spin density within the magnetic molecular unit. The very large magnitude of the observed effect is due to quantum spin…
Understanding the joint dynamics of electron and nuclear spins is central to core concepts in solid-state magnetic resonance - such as spin-lattice relaxation and dynamic nuclear polarization - but a generalization that capitalizes on…
In a collinear magnet, the predominant magnetic moments are collectively aligned along a specific spatial orientation, and this alignment may yield intriguing phenomena such as spin orientation driven polarization. It is well known that…
We consider the mapping of tight-binding electronic structure theory to a local spin Hamiltonian, based on the adiabatic approximation for spin degrees of freedom in itinerant-electron systems. Local spin Hamiltonians are introduced in…
The interaction of electronic spin and molecular vibrations mediated by spin-orbit coupling governs spin relaxation in molecular qubits. I derive an extended molecular spin Hamiltonian that includes both adiabatic and non-adiabatic…
It is proposed that nuclear (or electron) spins in a trapped molecule would be well isolated from the environment and the state of each spin can be measured by means of mechanical detection of magnetic resonance. Therefore molecular traps…
A theoretical study of spin dynamics in non-relativistic particle beams with interacting angular momenta traversing static, spatially varying magnetic fields is presented. The computational framework evaluates sinusoidal magnetic field…