Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians
JP Malrieu, R Caballol, CJ Calzado, C De Graaf… - Chemical …, 2014 - ACS Publications
Magnetism is a phenomenon that has always captured the imagination of humans. Its
discovery in the western world is attributed to the ancient Greek civilization. More than 2500 …
discovery in the western world is attributed to the ancient Greek civilization. More than 2500 …
Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling
F Neese - Coordination Chemistry Reviews, 2009 - Elsevier
This review provides a detailed account of density functional theory (DFT) and its application
to the calculation of molecular properties of inorganic compounds. After introducing some …
to the calculation of molecular properties of inorganic compounds. After introducing some …
Quantum helimagnetism of the frustrated spin-½ chain LiCuVO4
M Enderle, C Mukherjee, B Fåk, RK Kremer… - Europhysics …, 2005 - iopscience.iop.org
Inelastic neutron scattering, susceptibility, and high-field magnetization identify LiCuVO 4 as
a nearest-neighbour ferromagnetic, next-nearest-neighbour frustrated, quasi–one …
a nearest-neighbour ferromagnetic, next-nearest-neighbour frustrated, quasi–one …
Magnetic anisotropy of dysprosium (III) in a low-symmetry environment: a theoretical and experimental investigation
A mixed theoretical and experimental approach was used to determine the local magnetic
anisotropy of the dysprosium (III) ion in a low-symmetry environment. The susceptibility …
anisotropy of the dysprosium (III) ion in a low-symmetry environment. The susceptibility …
Quantum magnetism in minerals
DS Inosov - Advances in Physics, 2018 - Taylor & Francis
The discovery of magnetism by the ancient Greeks was enabled by the natural occurrence of
lodestone–a magnetized version of the mineral magnetite. Nowadays, natural minerals …
lodestone–a magnetized version of the mineral magnetite. Nowadays, natural minerals …
A unified view of the theoretical description of magnetic coupling in molecular chemistry and solid state physics
I de PR Moreira, F Illas - Physical Chemistry Chemical Physics, 2006 - pubs.rsc.org
The magnetic interactions in organic diradicals, dinuclear inorganic complexes and ionic
solids are presented from a unified point of view. Effective Hamiltonian theory is revised to …
solids are presented from a unified point of view. Effective Hamiltonian theory is revised to …
Interplay of rare earth and iron magnetism in (, Ce, Pr, and Sm): Muon-spin relaxation study and symmetry analysis
H Maeter, H Luetkens, YG Pashkevich, A Kwadrin… - Physical Review B …, 2009 - APS
We report zero-field muon spin relaxation (μ SR) measurements on R FeAsO with R= La,
Ce, Pr, and Sm. We study the interaction of the FeAs and R (rare-earth) electronic systems in …
Ce, Pr, and Sm. We study the interaction of the FeAs and R (rare-earth) electronic systems in …
Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets
The application of theoretical methods based on density functional theory using hybrid
functionals and localized, atomic orbital type basis sets is shown to provide good estimates …
functionals and localized, atomic orbital type basis sets is shown to provide good estimates …
Frustrated magnets without geometrical frustration in bosonic flux ladders
We propose a scheme to realize a frustrated Bose-Hubbard model with ultracold atoms in an
optical lattice that comprises the frustrated spin-1/2 quantum XX model. Our approach is …
optical lattice that comprises the frustrated spin-1/2 quantum XX model. Our approach is …
Zigzag spin chains with antiferromagnetic-ferromagnetic interactions: Transfer-matrix renormalization group study
Properties of the zigzag spin chains with various nearest-neighbor and next-nearest-
neighbor interactions are studied by making use of the transfer-matrix renormalization group …
neighbor interactions are studied by making use of the transfer-matrix renormalization group …