Phase stability and band degeneracy of quasi-one-dimensional boron chain polymorphs embedded in LiB crystals
Source abstract
Abstract
Polymorphs of boron provide various types of atomic structures that lead to the emergence of physical phenomena and become playgrounds to examine electronic states. There are lithium-boron compounds that embed quasi-one-dimensional (quasi-1D) boron incommensurately in the hexagonal lithium sublattices. Based on first-principles calculations, $k$ groups, and topological invariants, we unveiled that the quasi-1D structures show double $\ensuremath{\pi}$ bonding orbitals, unavoidable band crossings, and nodal lines around the Fermi level. The origin of this phenomenon is attributed to the interaction between B-B chains through sublattice Li atoms and to the nonsymmorphic crystal symmetry.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: 2D Materials and Applications · Boron and Carbon Nanomaterials Research · Topological Materials and Phenomena
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
CD-FMat, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8560, Ibaraki, Japan
Department of Physics, Osaka University, Toyonaka 560-0043, Osaka, Japan
Institute for Solid State Physics (ISSP), The University of Tokyo, Kashiwa 277-8581, Chiba, Japan
Institute of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8573, Ibaraki, Japan
Funding
Japan Society for the Promotion of Science · Japan Science and Technology Corporation · Centre de Recherche en Économie et Statistique · Fujitsu · University of Tokyo
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