In this paper, we study the effect of single Boron/Nitrogen impurityatom on electronic properties of a silicene nano flake. Our calculations are basedon density functional theory by using Gaussian package. Here, one Si atom insilicene nano flake substitutes with a Boron/Nitrogen atom. The results show thatsubstitution of one Si atom with single Boron/Nitrogen atom increases distanceof impurity ...

Hexagonal boron nitride sheets have been noted especially for their enhanced properties as substrates for sp(2) carbon-based nanodevices. To evaluate whether such enhanced properties would be retained under various realistic conditions, we investigate the structural and electronic properties of semiconducting carbon nanotubes on perfect and defective hexagonal boron nitride sheets under an exte...

density functional theory (dft) calculations have been performed to investigating the effects of themolecular oxygen impurity on the quadrupole coupling constant (qcc) parameters of armchair and zigzagboron nitride nanotubes (bnnts). optimization processes have been performed to relax the original andimpure structures of the investigated bnnts. afterwards, the qcc parameters have been evaluated...

Abstract. We investigate the influence of impurities and vacancies in the formation of magnetic moment in CaB6 using full potential ab initio band structure calculations. CaB6 is found to be a band insulator with a band gap of about 0.2 eV. The calculated results indicate that carbon and oxygen substitution in boron sublattice, usually expected as impurity in low purity borons, do not play sign...

The electron field emission properties of the nanodiamond films were examined using scanning tunneling microscopic sSTMd technique. Current image tunneling spectroscopic measurements reveal the direct dependence of electron tunneling/field emission behavior of the films on the proportion of grain boundaries present. Local tunneling current-voltage sIt–Vd measurements show that incorporation of ...

Density functional theory (DFT) calculations have been performed to investigating the effects of themolecular oxygen impurity on the quadrupole coupling constant (Qcc) parameters of armchair and zigzagboron nitride nanotubes (BNNTs). Optimization processes have been performed to relax the original andimpure structures of the investigated BNNTs. Afterwards, the Qcc parameters have been evaluated...

Elastic field coupling to solute concentration is known to produce dislocationdriven impurity segregation. Recent reports detailing the distribution of boron around edge dislocations in B2-ordered FeAl indicate that nonlinear coupling of species concentration and elastic strain to the chemical potential must be considered to assess the magnitude of boron segregation around edge dislocations. On...

The Stark splitting of a single fourfold degenerate impurity located within the built-in potential of a metal-semiconductor contact is investigated using low temperature transport measurements. A model is developed and used to analyze transport as a function of temperature, bias voltage, and magnetic field. Our data is consistent with a boron impurity. We report g factors of g_{1/2}=1.14 and g_...

We report high-resolution infrared absorption spectra of the neutral donors phosphorus and lithium, and the neutral acceptor boron, in isotopically pure 28Si crystals. Surprisingly, many of the transitions are much sharper than previously reported in natural Si. In particular, the 2p(0) line of phosphorus in 28Si has a full width at half maximum of only 4.2 microeV, about 5 times less than the ...