Critical Role of Nonrigid Unit and Spiral Acoustical Modes in Designing Colossal Negative Thermal Expansion
Qilong Gao,
Yixin Jiao,
Jan A. P. Sprenger
et al.
Abstract:Exploring the relationship between thermal expansion and structural complexity is a challenging topic in the study of modern materials where volume stability is required. This work reports a new family of negative thermal expansion (NTE) materials, AM(CN) 4 with A = Li and Na and M = B, Al, Ga, and In. Here, the compounds of LiB(CN) 4 and NaB(CN) 4 were only synthesized; others were purely computationally studied. A critical role of nonrigid vibrational modes and spiral acoustical modes has been identified in … Show more
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