Abstract

A high pressure form of ZnO with a rock-salt structure can be synthesized as a thin film bya pulsed laser deposition technique when mol% of MgO is alloyed. The phase is identified both by x-ray diffraction andnear edge x-ray absorption fine structure (NEXAFS) measurements. NEXAFSis interpreted with the aid of first principles calculations employing a supercellcomposed of 108 atoms with a Zn-1s core-hole. The rock-salt phase can be formedonly when an MgO(100) substrate is used because of a favourable latticematching. As a result of the heteroepitaxy, the crystal is distorted tetragonally byc/a = 1.02. The energy increase due to the tetragonal deformation is estimated to be 2 meV/ZnO by afirst principles calculation.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call