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Self-Encapsulation of Silicene in Cubic Diamond Si - Topological Semimetal in Covalent Bonding Networks

MetadataDetails
Publication Date2019-01-02
JournalThe Journal of Physical Chemistry C
AuthorsGeun-Myeong Kim, Ha‐Jun Sung, Woo Hyun Han, In‐Ho Lee, K. J. Chang
InstitutionsKorea Advanced Institute of Science and Technology, Korea Research Institute of Standards and Science
Citations5

Silicene has a two-dimensional buckled honeycomb lattice and is chemically reactive because of its mixed sp2-sp3 bonding character unlike graphene. Despite recent advances in epitaxial growth, it remains a great challenge to synthesize a stable silicene layer. Here, we propose an encapsulation method, in which silicene is self-encapsulated between Si(110) layers in the cubic diamond lattice and effectively protected from reaction with environmental gases. Although Si atoms are all fourfold coordinated, self-encapsulated silicene exhibits the band topology of Dirac semimetals. In a superlattice structure, in which silicene is periodically encapsulated between Si(110) layers, we also find a topological transition from a normal semiconductor to a topological nodal line semimetal as the number of Si(110) layers increases. Our results provide insights into the design of a stable silicene layer that retains the nontrivial band topology and is useful for applications of Si-based devices.