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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Zakutayev, Andriy
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (26/26 displayed)
- 2023Is Cu3-xP a Semiconductor, a Metal, or a Semimetal?citations
- 2023Autonomous sputter synthesis of thin film nitrides with composition controlled by Bayesian optimization of optical plasma emissioncitations
- 2023Is Cu 3-x P a Semiconductor, a Metal, or a Semimetal?citations
- 2022Crystallize It before It diffusescitations
- 2022Prediction and realisation of high mobility and degenerate p-type conductivity in CaCuP thin films
- 2022Prediction and realisation of high mobility and degenerate p-type conductivity in CaCuP thin films.
- 2020Templated growth of metastable polymorphs on amorphous substrates with seed layerscitations
- 2020Wurtzite materials in alloys of rock salt compoundscitations
- 2019Electron scattering mechanisms in polycrystalline sputtered zinc tin oxynitride thin filmscitations
- 2018The 2019 materials by design roadmapcitations
- 2018Stabilization of wide band-gap p-type wurtzite MnTe thin films on amorphous substratescitations
- 2018Implications of heterostructural alloying for enhanced piezoelectric performance of (Al,Sc)Ncitations
- 2018Combinatorial Nitrogen Gradients in Sputtered Thin Filmscitations
- 2018Negative-pressure polymorphs made by heterostructural alloyingcitations
- 2018Characterization of Elastic Modulus Across the (Al 1– x Sc x )N System Using DFT and Substrate-Effect-Corrected Nanoindentationcitations
- 2017Using heterostructural alloying to tune the structure and properties of the thermoelectric Sn1−xCaxSecitations
- 2017Novel phase diagram behavior and materials design in heterostructural semiconductor alloyscitations
- 2017Novel phase diagram behavior and materials design in heterostructural semiconductor alloyscitations
- 2017Monte Carlo simulations of disorder in <math><mrow><mi>ZnSn</mi><msub><mi mathvariant='normal'>N</mi><mn>2</mn></msub></mrow></math> and the effects on the electronic structurecitations
- 2017Using heterostructural alloying to tune the structure and properties of the thermoelectric Sn 1- x Ca x Secitations
- 2017Design of metastable tin titanium nitride semiconductor alloyscitations
- 2016A review of defects and disorder in multinary tetrahedrally bonded semiconductors [Defects and disorder in multinary tetrahedrally bonded semiconductors studied by experiment and theory]citations
- 2016Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structurescitations
- 2016Synthesis and characterization of (Sn,Zn)O alloyscitations
- 2015Design of Semiconducting Tetrahedral <math display="inline"> <mrow> <msub> <mrow> <mi>Mn</mi> </mrow> <mrow> <mn>1</mn> <mo>₋</mo> <mi>x</mi> </mrow> </msub> <msub> <mrow> <mi>Zn</mi> </mrow> <mrow> <mi>x</mi> </mrow> </msub> <mi mathvariant="normal">O</mi> </mrow> </math> Alloys and Their Application to Solar Water Splittingcitations
- 2012Surface Origin of High Conductivities in Undoped In2O3 Thin Filmscitations
Places of action
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article
Is Cu3-xP a Semiconductor, a Metal, or a Semimetal?
Abstract
<p>Despite the recent surge in interest in Cu<sub>3-x</sub>P for catalysis, batteries, and plasmonics, the electronic nature of Cu<sub>3-x</sub>P remains unclear. Some studies have shown evidence of semiconducting behavior, whereas others have argued that Cu<sub>3-x</sub>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 Cu<sub>3</sub>P 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 Cu<sub>3-x</sub>P films are always p-type semimetals natively doped by copper vacancies regardless of x. It is not implausible that Cu<sub>3-x</sub>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 cm<sup>2</sup>/(V s)) in Cu<sub>3-x</sub>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.</p>