The topological soliton in Peierls semimetal Sb.

Autor: Chekmazov SV; Institute of Solid State Physics, RAS, Chernogolovka, Russia., Ksenz AS; Institute of Solid State Physics, RAS, Chernogolovka, Russia., Ionov AM; Institute of Solid State Physics, RAS, Chernogolovka, Russia.; School of Physics, Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin, Ireland., Mazilkin AA; Institute of Solid State Physics, RAS, Chernogolovka, Russia., Smirnov AA; Institute of Solid State Physics, RAS, Chernogolovka, Russia., Pershina EA; Institute of Solid State Physics, RAS, Chernogolovka, Russia., Ryzhkin IA; Institute of Solid State Physics, RAS, Chernogolovka, Russia., Vilkov OY; Saint Petersburg State University, Saint Petersburg, Russia., Walls B; School of Physics, Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin, Ireland. wallsbc@tcd.ie., Zhussupbekov K; School of Physics, Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin, Ireland., Shvets IV; School of Physics, Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin, Ireland., Bozhko SI; Institute of Solid State Physics, RAS, Chernogolovka, Russia.; School of Physics, Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin, Ireland.
Jazyk: angličtina
Zdroj: Scientific reports [Sci Rep] 2024 Jan 28; Vol. 14 (1), pp. 2331. Date of Electronic Publication: 2024 Jan 28.
DOI: 10.1038/s41598-024-52411-x
Abstrakt: Sb is a three-dimensional Peierls insulator. The Peierls instability gives rise to doubling of the translational period along the [111] direction and alternating van der Waals and covalent bonding between (111) atomic planes. At the (111) surface of Sb, the Peierls condition is violated, which in theory can give rise to properties differing from the bulk. The atomic and electronic structure of the (111) surface of Sb have been simulated by density functional theory calculations. We have considered the two possible (111) surfaces, containing van der Waals dangling bonds or containing covalent dangling bonds. In the models, the surfaces are infinite and the structure is defect free. Structural optimization of the model containing covalent dangling bonds results in strong deformation, which is well described by a topological soliton within the Su-Schrieffer-Heeger model centered about 25 Å below the surface. The electronic states associated with the soliton see an increase in the density of states (DOS) at the Fermi level by around an order of magnitude at the soliton center. Scanning tunneling microscopy and spectroscopy (STM/STS) measurements reveal two distinct surface regions, indicating that there are different surface regions cleaving van der Waals and covalent bonds. The DFT is in good agreement with the STM/STS experiments.
(© 2024. The Author(s).)
Databáze: MEDLINE
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