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Ab initio calculations of the optimized geometry and the electronic structure of lattice defects in incipient perovskite ferroelectrics SrTiO 3 and KTaO 3 are performed in the framework of the density functional theory. The results are presented for the Li + impurity ion at the A site in the KTaO...
A model is proposed for injection of carriers (holes) from a metal into organic molecular solids. It is shown that the total injection current is restricted by the process of tunneling between the levels of a molecule and states in the metal. The role played by phonons in the tunneling transition...