相关论文: A period-doubled structure for the 90-degree parti…
With few systems of technological interest having been studied as extensively as elemental silicon, there currently exists a wide disparity between the number of predicted low-energy silicon polymorphs and those, which have been…
Diamond silicon (Si) is the leading material in current solar cell market. However, diamond Si is an indirect band gap semiconductor with a large energy difference (2.4 eV) between the direct gap and the indirect gap, which makes it an…
We consider the phase behavior of two-dimensional ($2D$)system of particles with an isotropic core-softened potential introduced in our previous publications. As one can expect from the qualitative consideration for the three dimensional…
Ab initio multi-reference configuration interaction calculations are performed for the Si(100) surface using a cluster approach. The convergence with respect to the cluster size is checked and the final results are taken from a $Si_{32}…
We present a detailed study of the exchange-correlation hole and exchange-correlation energy per particle in the Si crystal as calculated by the Variational Monte Carlo method and predicted by various density functional models. Nonlocal…
Searches for low-energy tetrahedral polymorphs of carbon and silicon have been performed using density functional theory computations and the ab initio random structure searching (AIRSS) ap- proach. Several of the hypothetical phases…
Chuang et al (Reports, 8th of January 2010, p. 181)1 report quasiparticle interference (QPI) imaging that shows pronounced C2 asymmetry. They interpreted this result as indication of an electronic nematic phase with an electron band…
We present an improved fabrication process for overlapping aluminum gate quantum dot devices on Si/SiGe heterostructures that incorporates low-temperature inter-gate oxidation, thermal annealing of gate oxide, on-chip electrostatic…
The structural relaxation of amorphous materials is described as arising from the superposition of elementary processes with varying activation energies. We show that it is possible to obtain the kinetic parameters of these processes from…
Dislocations, as topological defects in crystal lattices, are fundamental to understanding plasticity in materials. Similar periodic structures also arise in continuum field theories, such as chiral soliton lattices (CSLs), which appear in…
Diverse magnetic and electronic properties of halogen-adsorbed silicene are investigated by the first-principles theoretical framework, including the adatom-diversified geometric structures, the atom-dominated energy bands, the spatial spin…
We resolve issues that have plagued reliable prediction of relative phase stability for solid-solutions and compounds. Due to its commercially important phase diagram, we showcase Al-Li system because historically density-functional theory…
We investigate the structure and dynamics of sodium disilicate by means of molecular dynamics computer simulation. We show that the structure is described by a partially destroyed tetrahedral SiO_4 network and a spherical super structure…
We theoretically consider coherence times for spins in two quantum computer architectures, where the qubit is the spin of an electron bound to a P donor impurity in Si or within a GaAs quantum dot. We show that low temperature decoherence…
The kinetic energy of superconducting electrons in an ultrathin, doubly connected superconducting cylinder, determined by the applied flux, increases as the cylinder diameter decreases, leading to a destructive regime around half-flux…
We report direct experimental evidence that the insulating phase of a disordered, yet strongly interacting two-dimensional electron system (2DES) becomes unstable at low temperatures. As the temperature decreases, a transition from…
A recent computational result suggests that highly confined modes can be realized by all-dielectric metamaterials (S. Jahani et. al., Optica 1, 96 (2014)). This substantially decreases crosstalk between dielectric waveguides, paving the way…
By means of ab initio molecular dynamics and band structure calculations, as well as using calculated STM images, we have singled out one structural model for the (3x2) reconstruction of the Si-terminated (001) surface of cubic SiC, amongst…
We report on total-energy electronic structure calculations in the density-functional theory performed for the ultra-thin atomic layers of Si on Ag(111) surfaces. We find several distinct stable silicene structures:…
Density-functional calculations are used to verify the atomic structure of the hexagonal In/Si(111)-($\sqrt{7}\times\sqrt{3}$) surface, which has been considered to represent an ultimate two-dimensional (2D) limit of metallic In overlayers.…