화학공학소재연구정보센터
Journal of Physical Chemistry B, Vol.108, No.38, 14570-14574, 2004
Surface phonons of D : C(001)-(2x1)
We report the surface phonon spectrum of the deuterium-terminated D:C(001)-(2x1) surface calculated using a semiempirical total energy approach. The surface exhibits a number of salient normal modes whose vibrational nature is analyzed. The calculated mode energies are found to be in gratifying agreement with recent electron energy loss data and allow us to identify the physical origin of the measured features.