Chemical Bonding Induces One-Dimensional Physics in Bulk Crystal BiIr4Se8

• DOI: 10.1021/jacs.3c13535
• Publication Date: 2024-03-02T13:01:16Z
• Authors: Connor J. Pollak; Grigorii Skorupskii; Martin Gutierrez-...; Ratnadwip Singha; Joseph W. Stiles; Franziska Kamm; Florian Pielnhofer; N. P. Ong; Ion Errea; Maia G. Vergniory; Leslie M. Schoop
• Keywords: Crystal (programming language)

One-dimensional (1D) systems persist as some of the most interesting because rich physics that emerges from constrained degrees freedom. A desirable route to harness properties therein is grow bulk single crystals a physically three-dimensional (3D) but electronically 1D compound. Most compounds which approach electronic limit still field interactions across other two crystallographic directions and, consequently, deviate models. In this paper, we lay out chemical concepts realize models in 3D crystals. These are based on both structural and arguments. We present BiIr4Se8, crystal consisting linear Bi2+ chains within scaffolding IrSe6 octahedra, prime example. Through structure analysis, density functional theory calculations, X-ray diffraction, physical property measurements, demonstrate unique configuration BiIr4Se8. This at ambient temperature gapped Su-Schriefer-Heeger system, generated by way canonical Peierls distortion involving Bi dimerization relieves instabilities metallic state. At 190 K, an additional charge wave emerges, affects distortion. The experimental evidence validates our design principles distinguishes BiIr4Se8 among quasi-1D compounds. thus show it possible materials applying concepts.