Browsing Επιστημονικές Δημοσιεύσεις Μελών ΠΘ (ΕΔΠΘ) by Subject "AB-INITIO"
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Structure and dynamics of NiO(001) and Ni/NiO(001) surfaces by molecular dynamics simulation
(2000)Using molecular dynamics and a rigid ion potential, we studied the vibrational and structural properties of the NiO(001) surface with and without cationic adatoms. We found that the bulk phonon density of states (DOS) is ...