Ab Initio Modeling of the Local Violation of a Peierls Transition at the Sb(111) Surface


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Abstract

The crystal structure of the Sb(111) surface is studied within the density functional theory. It is shown that a defect near-surface region with a thickness of 6–8 atomic layers, which is similar to a topological soliton in hydrocarbon one-dimensional chains, is formed at the surface because of the break of bilayers. The formation of the defect layer is discussed within the Su–Schrieffer–Heeger model in terms of the local violation of the Peierls transition.

About the authors

S. I. Bozhko

Institute of Solid State Physics

Author for correspondence.
Email: bozhko@issp.ac.ru
Russian Federation, Chernogolovka, Moscow region, 142432

A. S. Ksenz

Institute of Solid State Physics

Email: bozhko@issp.ac.ru
Russian Federation, Chernogolovka, Moscow region, 142432

A. M. Ionov

Institute of Solid State Physics

Email: bozhko@issp.ac.ru
Russian Federation, Chernogolovka, Moscow region, 142432

S. V. Chekmazov

Institute of Solid State Physics

Email: bozhko@issp.ac.ru
Russian Federation, Chernogolovka, Moscow region, 142432

E. A. Levchenko

Institute of Solid State Physics

Email: bozhko@issp.ac.ru
Russian Federation, Chernogolovka, Moscow region, 142432

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