The electronic and geometrical properties of bulk americium and square and hexagonal americium monolayers have been studied with the full-potential linearized augmented plane wave (FP-LAPW) method. The effects of several common approximations are examined: (1) non-spin polarization (NSP) vs....

Taking into account the recent advances in the epitaxial growth of single-crystal InN leading to a drastic re-evaluation of its fundamental energy band gap, we have studied the electronic properties of InN<Subscript>x</Subscript>P<Subscript>1-x</Subscript> (x 0.01) ternary alloy. Using the empirical pseudopotential method under the virtual...</subscript></subscript>

In this paper, we present a theoretical study of the quantized electronic states in Cd<Subscript>1-x</Subscript>Zn<Subscript>x</Subscript>S quantum dots. The shape of the confining potential, the subband energies and their eigen envelope wave functions are calculated by solving a one-dimensional Schrödinger equation. Electrons and holes...</subscript></subscript>

First-principles calculations based on density functional theory were used to study the high-pressure phases of both ZnF<Subscript>2</Subscript> and CdF<Subscript>2</Subscript>. We found that the sequence of the pressure-induced phase transitions is: Rutile (P4<Subscript>2</Subscript>/mnm) ↦ CaCl<Subscript>2</Subscript> (Pnnm) ↦ PdF<Subscript>2</Subscript> (Pa-3) and CaF<Subscript>2</Subscript> (Fm3m) ↦ PbCl<Subscript>2</Subscript> (Pnma) ↦...</subscript></subscript></subscript></subscript></subscript></subscript></subscript></subscript>

We have studied the transmission resonances for a confined array of antidots, using the lattice Green's function method. Two kinds of resonant peaks via quasibound states are found. One kind of resonant peak corresponds to the split quasibound states. The split states originate from the...

O1s and Mn2p near-edge X-ray absorption spectroscopy on La<Subscript>1-x</Subscript>Sr<Subscript>1+x</Subscript>MnO<Subscript>4</S ubscript> (0 ≤x ≤0.5) single crystals shows that Sr doping does not only provide holes to the system but also induces a continuous transfer of electrons from out-of-plane d<Subscript>3z2-r2</Subscript> to in-plane d<Subscript>3x2-r2</Subscript>/d<Subscript>3y2-r2</Subscript> orbitals. Furthermore, a...</subscript></subscript></subscript><//s></subscript></subscript></subscript>

We investigate the electronic instabilities of the small-diameter (3, 3) carbon nanotubes by studying the low-energy perturbations of the normal Luttinger liquid regime. The bosonization approach is adopted to deal exactly with the interactions in the forward-scattering channels, while...

We suggest and implement a new Monte Carlo strategy for correlated models involving fermions strongly coupled to classical degrees of freedom, with accurate handling of quenched disorder as well. Current methods iteratively diagonalise the full Hamiltonian for a system of N sites with...