CaO first-principles electronic properties and MOS device simulation

The carrier effective masses of CaO in the cubic phase are estimated by ab initio calculations, which are used for the simulation of Si/CaO metal-oxide-semiconductor (MOS) devices by solving Schrodinger and Poisson equations self-consistently. The possibility of using CaO as a gate dielectric material for MOS device applications is then discussed. The theoretical simulations point to the possibility of using CaO as a gate dielectric, but thin films of CaO on silicon still present roughness that precludes its actual use as a gate dielectric material.