A detailed description of the statistical distribution of thermal vacancies in anhomogeneous crystal near its melting point is presented, using the embedded atom model for copper as an example.As the tem- perature ...

The importance of ceria (CeO2) in many applications originates from the ease of oxygen vacancy formation and healing. The ordering of vacancies and the whereabouts of the excess charge in bulk CeO2 are of no less significance ...

First results of a systematic study on the vacancy clustering process in Al, Cu, Mg and Nb are presented. To this aim first principle calculation of positron lifetimes and positron-electron momentum distributions were ...

The effects of Zr doping on the stability of the CeO2(111) surface as a function of the dopant concentration and distribution, as well as on the relative stability of surface and subsurface oxygen vacancies, were studied ...

In this work, we studied the distribution of V and Sb vacancies in the rutile-type vanadium antimonate phase and the influence of these cationic defects on the VSbO4(110) surface properties. We performed density functional ...

The electronic and structural properties of MgH2 systems containing vacancies and Zr or Nb as dopants were studied using self-consistent calculations. The density of states were computed using the Vienna Ab initio Simulation ...

We experimentally studied the formation of vacancy clusters and oxygen related defects in uranium oxide (UOx) thin films (<70 nm) changing the stoichiometry in the x = 2.2?3.5 range. Films were deposited on Si(0 0 1) by ...