We calculated the electronic structure and optical properties of the AlN monolayer based on first

principle many body Green’s function and Bethe Salpeter equation formalism. We computed that the

indirect ...

By using ab-initio density functional theory and the PerdeweBurkeeErnzerh of generalized gradient

approximation, the Young’s modulus of double-wall boron nitride nanotubes (DWBNNT) is investigated.

We estimated ...

We calculated the electronic structure and optical properties of the AlN monolayer based on first principle many-body Green’s function and Bethe–Salpeter equation formalism. We computed that

the indirect (direct) ...

Usingfirst principles many-body theory methods (Green s function and Bethe Salpeter equation

formalism) we calculated the electronic structure and optical properties of the GaAs monolayer. We

computed that ...

By using a single band tight-binding Hamiltonian and the Green’s function approach

together, we studied the effect of electrical field on a ferromagnetic electrode-Zigzag

Graphene Nano Ribbon -FM systems. Our ...

The bindingenergyofchemicallyadsorbedhydrogenatomsonboronnitridenanotube(3,3)wasstudied

within densityfunctionaltheory(DFT).Resultsshowthatelectronicpropertiesofboronnitridenanotube

are stronglyaffectedbyth ...

a b s t r a c t

With Green’s function method and single band tight binding Hamiltonian, we calculated coherence

transport for trans-polyacetylene (T-PA) systems placed between ferromagnetic electrodes with ...

....

Coherent spin-dependent electronic transport is investigated in a molecular

junction made of organic molecule (linear chain of benzene rings) attached to two

the semi-infinite ferromagnetic (FM) electrodes ...

In this work, using a tight-binding Hamiltonian and a non-equilibrium Green's

function technique, the spin-dependent transport properties of the electrode/ single

molecule/electrode system is numerically ...