The bulk and surface electronic and structural properties of As(111) have been studied with first-principles methods. The inclusion of spin-orbit interaction reveals that As shares the same topologically nontrivial order of the bulk electronic bands of Sb which gives rise to two spin-polarized surface states connecting valence-like and conduction-like states. Bulk and surface phonons have been calculated by means of density functional perturbation theory. The surface phonon bands reveal features related to a remarkable stiffening of the surface bilayer with respect to the bulk ones similarly to what is measured for the Bi(111) and to what is expected for the Sb(111) surface.
Campi, D., Bernasconi, M., Benedek, G. (2012). Electronic properties and lattice dynamics of the As(111) surface. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 86(24), 245403-245408 [10.1103/PhysRevB.86.245403].
Electronic properties and lattice dynamics of the As(111) surface
CAMPI, DAVIDE;BERNASCONI, MARCO;BENEDEK, GIORGIO
2012
Abstract
The bulk and surface electronic and structural properties of As(111) have been studied with first-principles methods. The inclusion of spin-orbit interaction reveals that As shares the same topologically nontrivial order of the bulk electronic bands of Sb which gives rise to two spin-polarized surface states connecting valence-like and conduction-like states. Bulk and surface phonons have been calculated by means of density functional perturbation theory. The surface phonon bands reveal features related to a remarkable stiffening of the surface bilayer with respect to the bulk ones similarly to what is measured for the Bi(111) and to what is expected for the Sb(111) surface.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.