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A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…
An important consequence of the discovery of giant magnetoresistance in metallic magnetic multilayers is a broad interest in spin dependent effects in electronic transport through magnetic nanostructures. An example of such systems are…
We report on systematic ab-initio investigations of Co and Cr interlayers embedded in Fe(001)/MgO/Fe(001) magnetic tunnel junctions, focusing on the changes of the electronic structure and the transport properties with interlayer thickness.…
We study electron transport properties of some molecular wires and a unconventional disordered thin film within the tight-binding framework using Green's function technique. We show that electron transport is significantly affected by…
Understanding crack tip - dislocation interaction is critical for improving the fracture resistance of semi-brittle materials like room-temperature plastically deformable ceramics. Here, we use a modified double cleavage drilled compression…
In this chapter we analyze in detail the behaviour and properties of the kinks found in an one dimensional model for the close packed rows of potassium ions in mica muscovite. The model includes realistic potentials obtained from the…
The general theory for quantum simulation of cubic semiconductor n-MOSFETs is presented within the effective mass equation approach. The full three-dimensional transport problem is described in terms of coupled transverse subband modes…
We address the problem of quantum particles moving on a manifold characterised by the presence of torsion along a preferential axis. In fact, such a torsion may be taylored by the presence of a single screw dislocation, whose Burgers vector…
Plasticity in hexagonal close packed (HCP) metals and alloys such as Titanium (Ti) and Zirconium (Zr) is carried out by the motion of $\langle a \rangle$ dislocations. Above room temperature, in situ transmission electron microscopy…
In the deformed quantum mechanics with a minimal length, one WKB connection formula through a turning point is derived. We then use it to calculate tunnelling rates through potential barriers under the WKB approximation. Finally, the…
In this paper, we proposed a novel method using the elementary number theory to investigate the discrete nature of the screw dislocations in crystal lattices, simple cubic (SC) lattice and body centered cubic (BCC) lattice, by developing…
We have evaluated the energies required to twist carbon nanotubes (NTs), and investigated the effects of these distortions on their electronic structure and electrical properties. The computed distortion energies are high, indicating that…
We explore the dynamics of relativistic quantum waves in a potential step by using an exact solution to the Klein-Gordon equation with a point source initial condition. We show that in both the propagation, and Klein-tunneling regimes, the…
Transport through potential barriers in graphene is investigated using a set of metallic gates capacitively coupled to graphene to modulate the potential landscape. When a gate-induced potential step is steep enough, disorder becomes less…
The viscoplastic deformation (creep) of crystalline materials under constant stress involves the motion of a large number of interacting dislocations. Analytical methods and sophisticated `dislocation-dynamics' simulations have proved very…
We investigate the depinning transition occurring in dislocation assemblies. In particular, we consider the cases of regularly spaced pileups and low angle grain boundaries interacting with a disordered stress landscape provided by solute…
Spin is a fundamental property of any many-electron system. The ability of density functional theory to accurately predict the physical properties of a system, while varying its spin, is crucial for describing magnetic materials and…
We investigate a field-theoretical model that describes the interaction between kinks and antikinks and between kinks and other heterogeneous fields and impurities. We show that the long-range kink can tunnel through a barrier created by…
Quantum walks, both discrete (coined) and continuous time, form the basis of several quantum algorithms and have been used to model processes such as transport in spin chains and quantum chemistry. The enhanced spreading and mixing…
The dispersion of small amplitude, impulsively excited wave trains propagating along a magnetic flux tube is investigated. The initial disturbance is a localized transverse displacement of the tube that excites a fast kink wave packet. The…