Volume 141, Number 6, March 2023
|Number of page(s)||7|
|Section||Condensed matter and materials physics|
|Published online||10 March 2023|
Topological defects in silicene
1 Research Laboratory for Metals and Alloys under Extreme Impacts, Ufa University of Science and Technology Ufa 450076, Russia
2 Physical Technical Institute, Ufa University of Science and Technology - Ufa 450076, Russia
3 School of Mechanical and Aerospace Engineering, Nanyang Technological University - 50 Nanyang Avenue, Singapore 639798, Singapore
4 Institute of Molecule and Crystal Physics, UFRC of RAS - Ufa 450075, Russia
5 Institute for Metals Superplasticity Problems, RAS - Ufa 450001, Russia
(a) E-mail: email@example.com (corresponding author)
Received: 9 December 2022
Accepted: 28 February 2023
Using the molecular dynamic simulations a new class of topological defects in silicene is investigated. Si atoms in silicene belong to two triangular sublattices shifted one with respect to the other by h along the direction normal to the sheet. Silicene can have two energetically equivalent structures when the first or second sublattice is above the other. Topological defects appear at the junctions of the domains of these two structures. Domain walls can be rectilinear or curvilinear. Such defects cannot disappear from the structure except as a result of the annihilation of defects with positive and negative topological charges. Structure and energy of the topological defects are calculated. The effect of temperature is shown. Similar defects inevitably exist in other group IVA elemental 2D materials with buckled structure, such as germanene, stanene, and plumbene. As a result of the work, the problem of experimental detection of such defects and the question of how they affect the physicochemical and mechanical properties of materials, in particular, toxicity or sensory properties, is posed.
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