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We study the influence of sample termination on the electronic properties of the novel quantum spin Hall insulator monolayer $1T'$-WTe$_2$. For this purpose, we construct an accurate, minimal 4-orbital tight-binding model with spin-orbit…
We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on…
We report that the conductance of macroscopic multiwall nanotube (MWNT) bundles under pressure shows power laws in temperature and voltage, as corresponding to a network of bulk-bulk connected Tomonaga-Luttinger Liquids (LL). Contrary to…
We theoretically investigate the dependence of exciton transition energies on dielectric constant of surrounding materials. We make a simple model for the relation between dielectric constant of environment and a static dielectric constant…
To apply the powerful many-body techniques of tensor networks to massless Dirac fermions one wants to discretize the $p\cdot\sigma$ Hamiltonian and construct a matrix-product-operator (MPO) representation. We compare two alternative…
Carbon nanotubes (CNTs) are principal constituents of nanocomposites and nano-systems. CNT size-dependent response assessment is therefore a topic of current interest in Mechanics of Advanced Materials and Structures. CNTs are modeled here…
Recent pump-probe experiments demonstrate the possibility that Dirac materials may be driven into transient excited states describable by two chemical potentials, one for the electrons and one for the holes. Given the Dirac nature of the…
We calculate the tunneling process of a Dirac particle across two square barriers separated a distance $d$, as well as the scattering by a double cusp barrier where the centers of the cusps are separated a distance larger than their…
Thermodynamics coupled with quantum features on electron and hole dynamics in Dirac materials is quite interesting and crucial for real device applications. The correlation between the formation of electron-hole puddles in nearer to the…
We study theoretically the electronic structure, transport and optical properties for a zigzag single-wall carbon nanotube connected to two normal conductor leads under the irradiation of an external electromagnetic field at low…
The impact of confinement on self-assembly of particles interacting with short-range attraction and long-range repulsion (SALR) potential is studied for thermodynamic states corresponding to local ordering of clusters or layers in the bulk.…
Dirac materials have been a unique solid state platform for exploring relativistic quantum phenomena including supercritical atomic collapse, which leads to emergent discrete scale symmetry and logperiodic quantum oscillations. In the…
In this paper, we review recent development in the theory of resonant inelastic light (Raman) scattering in one-dimensional electron systems. The particular systems we have in mind are electron doped GaAs based semiconductor quantum wire…
This paper presents real-time time-dependent density functional theory (TDDFT) ab-initio simulations of selected armchair carbon nanotubes (CNTs). By scaling the lengths of CNTs, we provide a comprehensive analysis of the Tomonaga-Luttinger…
In the present work, we investigated the electronic and elastic properties in equilibrium and under strain of the type-II Dirac semimetal NiTe$_2$ using density functional theory (DFT). Our results demonstrate the tunability of Dirac nodes'…
We reveal a dramatic departure of electron thermodiffusion in solids relative to the commonly accepted picture of the ideal free-electron gas model. In particular, we show that the interaction with the lattice and impurities, combined with…
We investigate the influence of a time dependent, homogeneous electric field on scattering properties of non-interacting electrons in an arbitrary static potential. We develop a method to calculate the (Keldysh) Green's function in two…
The density of states and differential entropy per particle are analyzed for Dirac-like electrons in graphene subjected to a perpendicular magnetic field and an in-plane electric field. For comparison, the derived density of states is…
The strain energies in straight and bent single-walled carbon nanotubes (SWNTs) are calculated by taking account of the total energy of all the occupied band electrons. The obtained results are in good agreement with previous theoretical…
The massless Dirac electrons found at topological insulator surfaces are thought to be influenced very little by weak, non-magnetic disorder. However, a resonance effect of strongly perturbing non-magnetic impurities has been theoretically…