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|a 10.1021/acs.chemmater.2c03283
|2 doi
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|a DE-627
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|a eng
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|a Crovetto, Andrea
|e verfasserin
|4 aut
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|a Is Cu3-x P a Semiconductor, a Metal, or a Semimetal?
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|c 2023
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|a Text
|b txt
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Revised 24.02.2023
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|a published: Electronic-eCollection
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|a Citation Status PubMed-not-MEDLINE
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|a © 2023 The Authors. Published by American Chemical Society.
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|a Despite the recent surge in interest in Cu3-x P for catalysis, batteries, and plasmonics, the electronic nature of Cu3-x P remains unclear. Some studies have shown evidence of semiconducting behavior, whereas others have argued that Cu3-x P is a metallic compound. Here, we attempt to resolve this dilemma on the basis of combinatorial thin-film experiments, electronic structure calculations, and semiclassical Boltzmann transport theory. We find strong evidence that stoichiometric, defect-free Cu3P is an intrinsic semimetal, i.e., a material with a small overlap between the valence and the conduction band. On the other hand, experimentally realizable Cu3-x P films are always p-type semimetals natively doped by copper vacancies regardless of x. It is not implausible that Cu3-x P samples with very small characteristic sizes (such as small nanoparticles) are semiconductors due to quantum confinement effects that result in the opening of a band gap. We observe high hole mobilities (276 cm2/(V s)) in Cu3-x P films at low temperatures, pointing to low ionized impurity scattering rates in spite of a high doping density. We report an optical effect equivalent to the Burstein-Moss shift, and we assign an infrared absorption peak to bulk interband transitions rather than to a surface plasmon resonance. From a materials processing perspective, this study demonstrates the suitability of reactive sputter deposition for detailed high-throughput studies of emerging metal phosphides
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|a Journal Article
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|a Unold, Thomas
|e verfasserin
|4 aut
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|a Zakutayev, Andriy
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Chemistry of materials : a publication of the American Chemical Society
|d 1998
|g 35(2023), 3 vom: 14. Feb., Seite 1259-1272
|w (DE-627)NLM098194763
|x 0897-4756
|7 nnns
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| 773 |
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|g volume:35
|g year:2023
|g number:3
|g day:14
|g month:02
|g pages:1259-1272
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|u http://dx.doi.org/10.1021/acs.chemmater.2c03283
|3 Volltext
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