Room-temperature ferromagnetism via unpaired dopant electrons and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>p</mml:mi><mml:mo>−</mml:mo><mml:mi>p</mml:mi></mml:mrow></mml:math>coupling in carbon-doped In<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:ms

Green, R. J.; Boukhvalov, Danil W.; Kurmaev, E.Z.; Finkelstein, L. D.; Ho, H. W.; Ruan, K. B.; Wang, Lin-Lin; Moewes, A.

doi:10.1103/physrevb.86.115212

Cited by 35 publications

(13 citation statements)

References 33 publications

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“…Previous results indicating DMS behavior in ZnO∶C should thus be reconsidered. Furthermore, since our results indicate that C in In 2 O 3 will also give rise to shallow-donor behavior, with little likelihood of C O incorporation, similar concerns apply to claims of DMS behavior in In 2 O 3 ∶C [23].…”

Section: B Implications For Applications In Transparent Conductors supporting

confidence: 57%

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Carbon as a Shallow Donor in Transparent Conducting Oxides

et al. 2014

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Carbon is a common unintentional impurity in oxide semiconductors. We use hybrid density functional theory to calculate the electronic and structural properties of carbon impurities in ZnO, In 2 O 3 , and Ga 2 O 3 -materials that are used as transparent conductors. In each of these semiconducting oxides, we find that carbon is most likely to occupy the cation site under most electronic and chemical potential conditions. In ZnO, C Zn acts as a shallow double donor and exhibits large local breathing-mode relaxations. In In 2 O 3 and Ga 2 O 3 , C acts as a shallow donor and moves off the cation site to become threefold oxygen coordinated. In all three oxides, C cation exhibits modest formation energies, indicating that these species will be likely to incorporate. Our results indicate that C impurities are suitable donor dopants in these oxides and will contribute to background n-type conductivity if unintentionally present.

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Section: B Implications For Applications In Transparent Conductors supporting

confidence: 57%

“…In the case of ZnO and In 2 O 3 , previous work either did not consider all C configurations [20,21] or did not consider that C impurities could assume charge states other than neutral [22,23]. In order to ascertain the behavior of impurities in semiconductors, it is crucial to allow for the possibility of charged defect states.…”

Section: Introductionmentioning

confidence: 99%

Carbon as a Shallow Donor in Transparent Conducting Oxides

et al. 2014

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“…The Density Functional Theory (DFT) was employed for evaluation of the defect states energetics and its contribution to electronic structure. The calculations of the defect formation energies were performed using SIESTA pseudopotential code [18] for different atomic configurations, following recent studies of impurities in In 2 O 3 [19]. All calculations were made by employing generalized gradient approximation (GGA-PBE) [20] In 32 O 48 supercell ( Fig.…”

Section: Experimental and Computational Detailsmentioning

confidence: 99%

Bulk In2O3 crystals grown by chemical vapour transport: a combination of XPS and DFT studies

Zatsepin

Boukhvalov

Vines

et al. 2019

J Mater Sci: Mater Electron

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A combination of XPS and DFT is used to study the electronic structure and identity of defects in In 2 O 3 crystals grown by a chalcogenides-based Chemical Vapour Transport (CVT) approach. The formation energies of the oxygen and indium vacancies as well as of the indium self-interstitials were calculated employing pseudopotential first principles calculations. Indium self-interstitials were found the most probable point defect in the CVT-In 2 O 3 crystals as derived only theoretically. At the same time both experiment and theory agree on the insignificant (about 0.05 eV) shift of valence bands toward Fermi level caused by the presence of the defects. Our experimental results show that the chalcogenides-based CVT synthesis leads to slightly higher oxygen defectiveness as compared with catalystassisted vapour-solid grown In 2 O 3 micro-rods from pure In and oxygen precursors.

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“…In 2 O 3 , a wide gap oxide semiconductor with high optical transparency, electric conductivity, and ferromagnetic Curie temperature, is one of the promising oxide DMSs . It has been shown in our previous experiments that morphologically homogeneous In 2 O 3 microcrystals (MCs) enclosed with different crystal facets can be prepared controllably on a large scale .…”

Section: Introductionmentioning

confidence: 99%

Enhancement of Ferromagnetism in Nonmagnetic Metal Oxide Nanoparticles by Facet Engineering

Long

Xiong

Meng

et al. 2016

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Ferromagnetism in semiconducting metal oxide nanoparticles has been intensively investigated due to their potential applications in spintronics, information storage, and biomedicine. Ferromagnetism can be produced in nonmagnetic metal oxide nanoparticles by a variety of methods or factors, but the saturated magnetization is typically of the order of 10 emu g and too small to be useful in practice. In this work, it is demonstrated theoretically and experimentally that stronger ferromagnetism can be achieved in undoped nonmagnetic metal oxide semiconductors by exposing some specific polar crystal facets with carvings of special bonds via the interaction with underlying vacancies. In O microcubes with completely enclosed {001} polar facets show two orders of magnitude enhancement at room temperature compared to nanoparticles with an irregular morphology. The surface magnetic domains on the {001} facets account for the significantly enhanced ferromagnetism. The technique and concept described here can be extended to other types of metal oxide nanostructures to spur their application to spintronics.

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Room-temperature ferromagnetism via unpaired dopant electrons andp−pcoupling in carbon-doped In2O3

Cited by 35 publications

References 33 publications

Carbon as a Shallow Donor in Transparent Conducting Oxides

Carbon as a Shallow Donor in Transparent Conducting Oxides

Bulk In2O3 crystals grown by chemical vapour transport: a combination of XPS and DFT studies

Enhancement of Ferromagnetism in Nonmagnetic Metal Oxide Nanoparticles by Facet Engineering

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