Related papers: $ab$-$initio$ Approaches for Low-Energy Spin Hamil…
Within the framework of periodic asymmetric Anderson model for Kondo isoulators an effective singlet-triplet Hamiltonian with indirect antiferromagnetic f-f exchange interaction is introduced which allows to study analytically the dynamic…
Spin insulatronics covers efforts to generate, detect, control, and utilize high-fidelity pure spin currents and excitations inside magnetic insulators. Ultimately, the new findings may open doors for pure spin-based information and…
In this paper, we define arbitrarily high-order energy-conserving methods for Hamiltonian systems with quadratic holonomic constraints. The derivation of the methods is made within the so-called line integral framework. Numerical tests to…
Extremal principles can generally be divided into two rather distinct classes. There are, on the one hand side, formulations based on the Lagrangian or Hamiltonian mechanics, respectively, dealing with time dependent problems, but…
We develop a calculation scheme using \textit{ab initio} tight-binding Hamiltonians to evaluate biquadratic magnetic interactions. This approach relies on the spin cluster expansion combined with the disordered local moment (DLM) method,…
We present a systematic derivation of effective lattice spin Hamiltonians derived from a rotationally invariant multi-orbital Hubbard model including a term ensuring Hund's rule coupling. The Hamiltonians are derived down-folding the…
Shape memory alloys are remarkable 'smart' materials used in a broad spectrum of applications, ranging from aerospace to robotics, thanks to their unique thermomechanical coupling capabilities. Given the complex properties of shape memory…
Ab initio computations of atomic nuclei, based on Hamiltonians from effective field theories of quantum chromodynamics, are now routinely used to predict and describe properties of medium heavy nuclei, and even the heavy nucleus $^{208}$Pb…
In this paper we give the full microscopic derivation of the model Hamiltonian for the three dimensional topological insulators in the $Bi_2Se_3$ family of materials ($Bi_2Se_3$, $Bi_2Te_3$ and $Sb_2Te_3$). We first give a physical picture…
An ab initio approach formulated under an entropy-inspired repartitioning of the electronic Hamiltonian is presented. This ansatz produces orbital eigenvalues each shifted by entropic contributions expressed as subsets of scaled pair…
Starting from a modified version of the the S=1/2 Kagome antiferromagnet to emphasize the role of elementary triangles, an effective Hamiltonian involving spin and chirality variables is derived. A mean-field decoupling that retains the…
The static and dynamic properties of spin-polarons in La-doped $CaMnO_3$ are explored theoretically, by means of an effective low energy Hamiltonian. All parameters from the Hamiltoniain are evaluated from first principles theory, without…
A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…
Among the frustrated magnetic materials, spin-ice stands out as a particularly interesting system. Residual entropy, freezing and glassiness, Kasteleyn transitions and fractionalisation of excitations in three dimensions all stem from a…
Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principles calculations. Systematic dependences of the derived model…
Spin waves - the elementary excitations of magnetic materials - are prime candidate signal carriers for low dissipation information processing. Being able to image coherent spin-wave transport is crucial for developing interference-based…
Due to advances in computer hardware and new algorithms, it is now possible to perform highly accurate many-body simulations of realistic materials with all their intrinsic complications. The success of these simulations leaves us with a…
We present a comprehensive study of the spin excitations - as measured by the dynamical spin structure factor $S(q,\omega)$ - of the so-called block-magnetic state of low-dimensional orbital-selective Mott insulators. We realize this state…
The one dimensional (1D) spin-1/2 Heisenberg-Ising model, a prototype quantum many-body system, has been intensively studied for many years. In this review, after a short introduction on some basic concepts of group theory for the…
The current theoretical and experimental situation is reviewed for low-dimensional (layered and chain-like) insulating systems. Such systems possess a low magnetic transition temperature $T_M$ and pronounced short-range magnetic order above…