Papers by Author: Veeramuthu Vaithianathan

Abstract: Growth behavior of Mn-doped ZnO thin films (Zn_1-xMn_xO) onAl₂O₃ (0001) substrates by pulsed laser deposition was investigated as a function of Mn content (0.00≤x≤0.35) mainly using synchrotron x-ray diffraction. We found that a small amount of Mn doping (x=0.05) significantly improves the crystalline quality, and also leads to a singly oriented film. The superior epitaxial growth of the film with an optimum Mn content seems to be associated with its microstructural evolution.

Abstract: This short article reports our recent effort to integrate the mesoscale phase-field method with first-principles total energy calculations, linear response theory, as well as mixedspace cluster expansion. A particular example of applying such a multiscale approach to the case of precipitation of semicoherent θ' particles in an Al-matrix is presented.