Related papers: Magnetic tight-binding and the iron-chromium entha…
Electrons at the border of localization generate exotic states of matter across all classes of strongly correlated electron materials and many other quantum materials with emergent functionality. Heavy electron metals are a model example,…
Neutrons and X-rays are powerful probes for studying magnetic and lattice excitations in strongly correlated materials over very wide ranges of momentum and energy transfers. In the focus of the present work are the incommensurate magnetic…
Quaternary Heusler alloys Co$_2$Cr$_{1-x}$Fe$_{x}$Al with varying Cr to Fe ratio $x$ were investigated experimentally and theoretically. The electronic structure and spectroscopic properties were calculated using the full relativistic…
Temperature-dependent magnetic experiments like pump-probe measurements generated by a pulsed laser have become a crucial technique for switching the magnetization in the picosecond time scale. Apart from having practical implications on…
We show that a discrete tight-binding model representing either a random or a quasiperiodic array of bonds, can have the entire energy spectrum or a substantial part of it absolutely continuous, populated by extended eigenfunctions only,…
A dynamics of the precession of coupled atomic moments in the tight-binding (TB) approximation is presented. By implementing an angular penalty functional in the energy that captures the magnetic effective fields self-consistently, the…
We develop a detailed microscopic analysis of electron transport in normal diffusive conductors in the presence of proximity induced superconducting correlation. We calculated the linear conductance of the system, the profile of the…
We describe a versatile mechanism that provides tight-binding models with an enriched, topologically nontrivial bandstructure. The mechanism is algebraic in nature, and leads to tight-binding models that can be interpreted as a non-trivial…
We discuss the role of striction in the intertwined magnetic and structural phase transitions in the underdoped iron-pnictides. The magneto-elastic coupling to acoustic modes is then derived and estimated in framework of the multiband…
We address a problem of the upper critical field in a lattice described by a two-dimensional tight-binding model with the on-site pairing. We develop a finite-system-approach which enables investigation of magnetic and superconducting…
Surprising enhancement of the magnetic moments recently observed in dilute Co-Mn alloy clusters is explained using ab initio electronic structure calculations. The calculated magnetic moments generally agree with the reported experimental…
The periodic Anderson impurity model on the Lieb lattice is studied by the slave-boson mean-field approximation in the strong interaction limit. The electron structure of conduction electrons on the Lieb lattice features both the band…
This work is motivated by the need for large-scale simulations to extract physical information on the iron-chromium system that is a binary model alloy for ferritic steels used or proposed in many nuclear applications. From first-principles…
Spin gapped metals have recently emerged as promising candidates for spintronic and nanoelectronic applications, enabling functionalities such as sub-60mV/dec switching, negative differential resistance, and non-local spin-valve effects in…
The electrical resistivity including the Kondo resistivity increase at low temperature is calculated for thin films of dilute magnetic alloys. Assuming that in the non-magnetic host the spin-orbit interaction is strong like in Au and Cu,…
We study the electronic and optical properties of strained single-layer SnC in the density functional theory (DFT) and tight-binding models. We extract the hopping parameters tight-binding Hamiltonian for monolayer SnC by considering the…
Using the density functional theory, we perform a full atomic relaxation of the bulk ferrite with 12.5%-concentration of monoatomic interstitial Cr periodically located at the edges of the bcc Fe$_\alpha$ cell. We show that structural…
A detailed study of the paramagnetic to ferromagnetic phase transition in the one-band Hubbard model in the presence of binary alloy disorder is presented. The influence of the disorder (with concentration $x$ and $1-x$ of the two alloy…
A Magnetic Cluster Expansion (MCE) model for ternary face-centered cubic Fe-Ni-Cr alloys has been developed using DFT data spanning binary and ternary alloy configurations. Using this MCE model Hamiltonian, we perform Monte Carlo…
We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…