Motivated by the lack of direct evidence with inelastic neutron scattering of the well documented bound state of Heisenberg ferromagnets, we use the time-dependent thermal density matrix renormalization group algorithm to study the temperature dependence o ...
We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear spin-polarized fram ...
This thesis is motivated by recent experiments on systems described by extensions of the one-dimensional transverse-field Ising (TFI) model where (1) finite-size properties of Ising-ordered phases -- specifically, ground state level crossings -- were obser ...
Recently, it has been shown that methods based on the dynamics of 1 H nuclear hyperpolarization in magic angle spinning (MAS) NMR experiments can be used to determine mesoscale structures in complex materials. However, these methods suffer from low sensiti ...
The recently synthesized Ag3LiIr2O6 has been proposed as a Kitaev magnet in proximity to the quantum spin liquid phase. We explore its microscopic Hamiltonian and magnetic ground state using many-body quantum chemistry methods and exact diagonalization tec ...
In the study of small molecule ligands and candidate macromolecular targets, water spins in long-lived association with macromolecules (proteins or nanoparticles) constitute a remarkable source of magneti-zation that can be exploited to reveal ligand-targe ...
We use density-functional theory to study the ordered states of iridium manganese, demonstrating a simple but powerful method for describing magnetic structures and the transitions among them. As an illustrative example, the coupling of magnetism and cryst ...
We investigate the momentum-resolved spin and charge susceptibilities, as well as the chemical potential and double occupancy in the two-dimensional Hubbard model as functions of doping, temperature, and interaction strength. Through these quantities, we i ...
We studied the magnetic excitations in the quasi-one-dimensional (q-1D) ladder subsystem of Sr14-xCaxCu24O41 (SCCO) using Cu L-3-edge resonant inelastic X-ray scattering (RIXS). By comparing momentum-resolved RIXS spectra with high (x = 12.2) and without ( ...
alpha-RuCl3 is a promising candidate material to realize the so far elusive quantum spin liquid ground state. However, at low temperatures, the coexistence of different exchange interactions couple the effective pseudospins into an antiferromagnetically zi ...
Method for the preparation of a sample comprising highly polarized nuclear spins, comprising at least the following steps: a) bringing a polarization system, which using an electrochemical reaction can be converted into an EPR-active radical form thereof, ...
This thesis is devoted to the investigation of static and dynamic properties of
two different sets of quantum magnets with neutron scattering techniques and
the help of linear spin wave theory.
Both systems are copper-based with spin-1/2, which makes them ...
