Тип публикации: статья из журнала
Год издания: 2023
Идентификатор DOI: 10.1107/s2053273323092902
Аннотация: Topological and quantum instability and violation of subperiodic symmetry of complex low-dimensional crystals is studied using theoretical analysis and multilevel simulations.It is demonstrated that complex low-dimensional lattices are prone to structural deformations caused by linear periodic boundary conditions (PBC).To impose PBПоказать полностьюC mandatory limitations for complex low-dimensional lattices, the Topology Conservation Theorem (TCT) is formulated as: "To conserve the planar topology of one-or few-atomic layer one-unit-cell-thick low-dimensional crystals with small or zero stabilizing force constants acting in the perpendicular direction to the lattice plain, and to avoid uncompensated mechanical stress, the free-standing constituting fragments (unit cells) must perfectly fit planar low-dimensional space.Due to the leading contribution of the stretching force constants to the total energy, mechanical stress aсcumulated by small regular structural mismatch of planar structural units should be compensated by out-of-plane structural deformations coupled with either multiplication of translation periods or breakdown of periodicity in one or two dimensions."
Журнал: Acta Crystallographica Section A: Foundations and Advances
Выпуск журнала: Т. 79, № a2
Номера страниц: 325-325
ISSN журнала: 20532733
Издатель: International Union of Crystallography