Sv. Mankovsky et Vt. Cherepin, THE POSSIBLE MECHANISM OF INCOMMENSURATE CHARGE-DENSITY-WAVE OCCURRENCE ON THE (100)W SURFACE, Surface science, 352, 1996, pp. 711-714
The results of the tight-binding calculations of the conduction electr
ons contribution to the dynamical matrix are presented, The analysis o
f the elements of dynamical matrix shows that the maximum instability
of the M(5) surface phonon mode is explained by the low dispersion of
the surface states bands near the E(F) and the strong wave vector depe
ndence of the matrix elements of the electron-phonon interactions. The
calculations for a nonzero temperature indicated deviations of the ma
ximum from the M point due to different temperature dependence of the
intraband and interband contributions to the dynamical matrix. It is a
ssumed that this is the reason for the incommensurate periodic lattice
distortion occurrence on the (100)W surface.