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arxiv 2204.03222 v2 pith:KZQ73PPU submitted 2022-04-07 cond-mat.mtrl-sci physics.optics

Where to find lossless metals?

classification cond-mat.mtrl-sci physics.optics
keywords metalscandidateslosslessconductivehavingmaterialsabsorptionanalyzed
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Hypothetical metals having optical absorption losses as low as those of the transparent insulators, if found, could revolutionize optoelectronics. We perform the first high-throughput search for lossless metals among all known inorganic materials in the databases of over 100,000 entries. The 381 candidates are identified -- having well-isolated partially-filled bands -- and are analyzed by defining the figures of merit and classifying their real-space conductive connectivity. The existing experimental evidence of most candidates being insulating, instead of conducting, is due to the limitation of current density functional theory in predicting narrow-band metals that are unstable against magnetism, structural distortion, or electron-electron interactions. We propose future research directions including conductive oxides, intercalating layered materials, and compressing these false-metal candidates under high pressures into eventual lossless metals.

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