We investigate the formation of compositional modulation and atomic ordering in InGaP films. Such bulk properties - as well as surface morphologies - present a strong dependence on growth parameters, mainly the V/III ratio. ...

We investigate the formation of compositional modulation and atomic ordering in InGaP films. Such bulk properties - as well as surface morphologies - present a strong dependence on growth parameters, mainly the V/III ratio. ...

The structural and electronic properties of bulk and both oxidized and reduced SnO2(110) surfaces as well as the adsorption process of O-2 on the reduced surface have been investigated by periodic DFT calculations at B3LYP ...

The structural and electronic properties of bulk and both oxidized and reduced SnO2(110) surfaces as well as the adsorption process of O-2 on the reduced surface have been investigated by periodic DFT calculations at B3LYP ...

Structural and electronic properties of the bulk and relaxed surfaces (TiO2 and PbO terminated) of cubic PbTiO3 are investigated by means of periodic quantum-mechanical calculations based on density functional theory. It ...

Structural and electronic properties of the bulk and relaxed surfaces (TiO2 and PbO terminated) of cubic PbTiO3 are investigated by means of periodic quantum-mechanical calculations based on density functional theory. It ...

The energy dependence of the neutral fraction of ions scattered by metal surfaces is observed to be affected by the presence of energy gaps and surface states in their surface band structure. The effect is more dramatic ...