Browsing by Subject "NIO(001) SURFACE"
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Vibrational and topological properties of selected NiO surfaces
(2006)We present a study of the vibrational properties of the (100) and (110) surfaces of nickel oxide. We performed molecular dynamics simulations over a wide temperature range and we calculated the phonon local density of ... -
Vibrational properties of a Sigma 5(310) 001 NiO grain boundary: a local analysis by molecular dynamics simulation
(2002)Using molecular dynamics and a rigid ion potential we studied the vibrational properties of a Sigma5(310)[001] tilt grain boundary in NiO. We calculated the local density of states and the mean square displacement (MSD) ...