Related papers: Application of a new Tight-Binding method for tran…
Common models describing magnetotransport properties of periodically modulated two--dimensional systems often either directly start from a semiclassical approach or give results well conceivable within the semiclassical framework. Recently,…
Tight-binding models provide great insight and are a low-cost alternative to \emph{ab initio} methods for calculation of a material's electronic structure. These models are used to calculate optical responses, including nonlinear optical…
Strong electron-electron interaction can induce Mott insulating state, which is believed to host unusual correlated phenomena such as quantum spin liquid when quantum fluctuation dominates and unconventional superconductivity through…
We present a simplified model for the colossal magnetoresistance in doped manganites by exactly solving a double-exchange model (with Ising-like local spins) and quenched binary disorder within dynamical mean field theory. We examine the…
Using the atomistic tight-binding method in combination with symmetry analysis and extended effective mass theory we derive a phenomenological model for the fine structure of the ground electron and hole states in $[111]$-grown PbX, X=S,Se…
The paramagnetic insulator to ferromagnetic metal transition in Lanthanum manganites and the associated magnetoresistive phenomena is treated by considering the localization due to random hopping induced by slowly fluctuating spin…
Monolayer transition metal dichalcogenides $MX_2$ ($M$ = Mo,W and $X$ = Te, Se, S) in 1T' structure were predicted to be quantum spin Hall insulators based on first-principles calculations, which were quickly confirmed by multiple…
Enhancing the fracture toughness of diamond while preserving its hardness is a significant challenge. Traditional toughening strategies have primarily focused on modulating the internal microstructural units of diamonds, including…
It has been suggested that hydrogen may metallise at lower pressures if it is ``precompressed''. Here we introduce a search strategy for predicting high-pressure structures and apply it to silane using first-principles electronic structure…
Plastic deformation of metallic alloys usually takes place through slip, but occasionally involves twinning. In particular, twinning is important in hexagonal close packed materials where the easy slip systems are insufficient to…
The ability to extract materials just a few atoms thick has led to discovery of graphene, monolayer transition metal dichalcogenides (TMDs), and other important two-dimensional materials. The next step in promoting understanding and utility…
The metal-insulator transition (MIT) remains among the most thoroughly studied phenomena in solid state physics, but the complexity of the phenomena, which usually involves cooperation of many degrees of freedom including orbitals,…
Transition metal dichalcogenide (TMD) monolayers attract great attention due to their specific structural, electronic and mechanical properties. The formation of their lateral heterostructures allows a new degree of flexibility in…
The transition metal dichalcogenide TiSe$_2$ has received significant research attention over the past four decades. Different studies have presented ways to suppress the 200~K charge density wave transition, vary low temperature…
The magnetic ground state of antiferromagnetically coupled Gd/Fe multilayers and the evolution of in-plane domain walls is modelled with micromagnetics. The twisted state is characterised by a rapid decrease of the interface angle with…
We find that the recently developed self consistent and appropriately normed (SCAN) meta-generalized gradient approximation, which has been found to provide highly accurate results for many materials, is, however, not able to describe the…
The Landauer-Buettiker formalism combined with the tight-binding transfer matrix method is used to describe the results of recent experiments: the high tunneling magnetoresistance (TMR) in (Ga,Mn)As-based trilayers and highly polarized spin…
The structural and electronic properties of cubic GaN are studied within the local density approximation by the full-potential linear muffin-tin orbitals method. The Ga $3d$ electrons are treated as band states, and no shape approximation…
Inspired by the method that can deterministically generated the massive entanglement through phase transitions, we study the ground state properties of a spin-1 condensate mixture, under the premise that the heteronuclear spin-exchange…
The magnetostructural coupling between the structural and the magnetic transition plays a crucial role in magnetoresponsive effects in a martensitic-transition system. A combination of various magnetoresponsive effects based on this…