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cond-mat.mtrl-sci2025
Halogen Chains with One-Dimensional Semi-Metallic Electronic Structure and Peierls Physics in Polymorphs of Na4X5 (X = I, Br, Cl) Compounds
Yuqing Yin, Nityasagar Jena, Florian Knoop +16
Since the pioneering works of Peierls, one-dimensional materials have attracted great attention. Still, the synthesis of truly monoatomic chains remains elusive. In this study, we…
cond-mat.mtrl-sci2023★ 2 cited
Orthogonal magnetic structures of Fe4O5:representation analysis and DFT calculations
V. S. Zhandun, N. V. Kazak, I. Kupenko +4
The magnetic and electronic structures of Fe4O5 have been investigated at ambient and high pressures via a combination of representation analysis, density functional theory (DFT+U)…