Related papers: First-principles Calculations of Engineered Surfac…
Mapping the magnetic exchange interactions from model Hamiltonian to density functional theory is a crucial step in multi-scale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the…
Charge and spin density distributions are studied within a nano-ring structure endowed with Rashba and Dresselhaus spin orbit coupling (SOI). For a small number of interacting electrons, in the presence of an external magnetic field, the…
We investigate multipartite entanglement in rings of arbitrary spins with antiferromagnetic interactions between nearest neighbors. In particular, we show that the non-degenerate ground state of rings formed by an even number ($N$) of spins…
Electron pairing and ferromagnetism in various cluster geometries are studied with emphasis on tetrahedron and square pyramid under variation of interaction strength, electron doping and temperature. These exact calculations of charge and…
The properties of quantum systems interacting with their environment, commonly called open quantum systems, can be strongly affected by this interaction. While this can lead to unwanted consequences, such as causing decoherence in qubits…
Historically, electron spin resonance (ESR) has provided excellent insight into the electronic, magnetic, and chemical structure of samples hosting spin centers. In particular, the hyperfine interaction between the electron and the nuclear…
Antiferromagnetic spin rings represent prototypical realizations of highly correlated, low-dimensional systems. Here we theoretically show how the introduction of magnetic defects by controlled chemical substitutions results in a strong…
Deep inelastic polarized and unpolarized structure functions for a free nucleon are obtained in a modified Center-of-Mass bag model, which includes the symmetry breaking effects from spin-dependent interactions. The quark distribution…
The magnetic and electronic structures of $3d$ impurity atoms from Sc to Zn in ferromagnetic body-centered cubic iron are investigated using the all-electron full-potential linearized augmented plane-wave method based on the generalized…
The spin structure in a magnetic dot, which is an example of a quantum few-body system, is studied as a function of exchange coupling strength and dot size with in the semiclassical approximation on a discrete lattice. As the exchange…
DFT+U is a widely used treatment in the density functional theory (DFT) to deal with correlated materials that contain open-shell elements, whereby the quantitative and sometimes even qualitative failures of local and semilocal…
We calculate exact zero-temperature real space properties of a substitutional magnetic impurity coupled to the edge of a zigzag silicene-like nanoribbon. Using a Lanczos transformation [Phys. Rev. B 91, 085101 (2015)] and the density matrix…
Processes which flip the spin of an electron tunneling in a junction made up of magnetic electrodes are studied. It is found that: i) Magnetic impurities give a contribution which increases the resistance and lowers the magnetoresistance,…
New possibilities arising from the availability at GSI of antiproton beams, possibly polarised, are discussed. The investigation of the nucleon structure can be boosted by accessing in Drell-Yan processes experimental asymmetries related to…
It is demonstrated that the magnetic interactions can be drastically different for nano-sized systems compared to those of bulk or surfaces. Using a real-space formalism we have developed a method to calculate non-collinear magnetization…
Fully-relativistic first-principles calculations of the Fe(001) surface demonstrate that resonant surface (interface) states may produce sizeable tunneling anisotropic magnetoresistance in magnetic tunnel junctions with a single magnetic…
We numerically study the magnetization of small metallic clusters. The magnetic susceptibility is enhanced for lower electronic densities due to the stronger influence of electron-electron interactions. The magnetic susceptibility…
The different crystal structures of ferromagnetic Ni$_2$MnGa have been calculated using density functional theory (DFT) with special emphasis on the modulated structures 10M and 14M. These are important for understanding the stability of…
Spin-orbit coupling in solids describes an interaction between an electron's spin, an internal quantum-mechanical degree of freedom, with its linear momentum, an external property. Spin-orbit interaction, due to its relativistic nature, is…
S=1/2 quantum spin chains and ladders with random exchange coupling are studied by using an effective low-energy field theory and transfer matrix methods. Effects of the nonlocal correlations of exchange couplings are investigated…