Using a first-principles pseudopotential technique, we have presented structural and electronic properties of the Si(110) surface capped with a monolayer of...
A first-principles study, using a linear-response approach based on the pseudopotential method and the local density functional scheme, has been carried out...
We have applied the adiabatic bond-charge model within a supercell approach to study the lattice dynamics of group-III nitride (110) surfaces. The structural...
A combination of reverse Monte Carlo, molecular dynamics, and lattice dynamics simulations were used to obtain structural and thermodynamic data for...
The cristobalitelike forms of the ternary silica analogues BPO4 and BAsO4 were investigated at high pressure by x-ray diffraction and theoretical methods. The...
Physical Review. B, American Physical Society, 15 février 2001, Volume : 63, Numéro : 10
The mechanism for the pressure-induced transformation of cristobalite to stishovite and post-stishovite phases has been obtained from constant pressure ab...
Physical Review. B, American Physical Society, 3 novembre 2003, Volume : 68
The collective dynamics of methane and xenon hydrate in the energy range of ±20meV and the Q range of 1.5–11nm⁻¹ has been investigated by inelastic x-ray...