Lithium-aluminum cathodes for organic light-emitting devices
P.F. Seidler, E.I. Haskal, et al.
EURODISPLAY 1997
We present the results of an ab initio molecular-dynamics study of the Si(111) surface at low temperatures. Our findings for the equilibrium structure confirm the Pandey (2×1) chain model and are in very good agreement with both low-energy electron diffraction and medium-energy ion-scattering data, showing in particular a large buckling of the surface chains. We describe the dynamical path followed during the reconstruction from the ideal bulk-terminated surface, which is found to be unstable. The phonon spectrum, which is calculated ab initio for the first time, shows well-defined surface modes at frequencies close to the measured values. © 1990 The American Physical Society.
P.F. Seidler, E.I. Haskal, et al.
EURODISPLAY 1997
F. Ancilotto, A. Selloni, et al.
Physical Review B
W. Andreoni, A. Curioni
Applied Physics A: Materials Science and Processing
Y. Zhang, X.-H. Peng, et al.
Chemical Physics Letters