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One-dimensional lead-free perovskite-type atomic wires
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DOI：10.1088/1361-6463/ae5f2d.png)
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Abstract
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As the atomic-scale manufacturing becoming the ultimate capability pursued by the manufacturing technologies, there has been a quest for low-dimensional materials with well-defined geometric and electronic structures to meet the requirements of miniaturization and multifunctionality for various device applications. Inspired by the emerging low-dimensional halide perovskites with intriguing optical properties, here we systematically explore one-dimensional (1D) atomic wires of transition metal halides. By the first-principles GW Bethe-Salpeter equation calculations, MCl4 (M = 4d and 5d group 5-8 transition metal elements) single chains with two perovskite-type structural phases are predicted, which exhibit outstanding lattice dynamic and thermal stabilities. The ineffective dielectric screening of these single atomic wires results in giant exciton binding energies and strong exciton absorption, offering an unprecedented platform for exploring 1D exciton physics and versatile optoelectronic applications.
Keywords:
atomic wire
lead-free perovskite
transition metal halide
exciton binding energy
exciton absorption
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3.2
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2.6W
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4.9W
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