The unoccupied electronic structure characterization of hydrothermally grown ThO<sub>2</sub> single crystals

Kelly, T. D.; Petrosky, James C.; Turner, David B.; McClory, John W.; Mann, J. Matthew; Kolis, Joseph W.; Zhang, Xin; Dowben, Peter A.

doi:10.1002/pssr.201308286

Cited by 21 publications

(29 citation statements)

References 25 publications

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“…Until recently, experimental studies of optical and electronic properties of UO 2 and ThO 2 have been limited due to the nonavailability of single-crystal samples of optical quality. Our previous research on these samples indicates high-quality ordered structures of near stoichiometric UO 2 as indicated by core level photoemission spectroscopy and other techniques [3][4][5][6][7] and compared to previous measurements of growth by other processes. 8 This study is a continuation of the previous work given that we have evidence that we have nearstoichiometric UO 2 3,5,9,10 and ThO 2 6,7,9 permitting detailed analysis of their optical properties.…”

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confidence: 91%

Band-to-band transitions and critical points in the near-infrared to vacuum ultraviolet dielectric functions of single crystal urania and thoria

Mock

Dugan

Knight

et al. 2019

Applied Physics Letters

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confidence: 91%

Band-to-band transitions and critical points in the near-infrared to vacuum ultraviolet dielectric functions of single crystal urania and thoria

Mock

Dugan

Knight

et al. 2019

Applied Physics Letters

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“…The challenges of growing high-quality uranium oxide single-crystal have begun to be addressed with the fabrication of high-quality, single crystal actinide oxide samples using a hydrothermal synthesis growth technique [16]. This growth process has produced bulk single crystals of near-stoichiometric UO 2 .…”

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confidence: 99%

Electrical and material properties of hydrothermally grown single crystal (111) UO2

et al. 2018

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The semiconductor and optical properties of UO2 are investigated. The very long drift carrier lifetimes, obtained from current-voltage I(V) and capacitance-voltage C(V) measurements, along with the well-defined optical properties provide little evidence of an abundance of material defects away from the surface region. Schottky barrier formation may be possible, but very much dependent on the choice of contact and surface stoichiometry and we find that Ohmic contacts are in fact favored. Depth resolved photoemission provided evidence of a chemical shift at the surface. Density functional theory, with the Heyd-Scuseria-Ernzerhof (HSE) functional, indicates a band gap of a 2.19 eV and an anti-ferromagnetic ground state. Ellipsometry measurements indicates at UO2 is relatively isotropic with a band gap of approximately 2.0 eV band gap, consistent with theoretical expectations.

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“…As expected, many results depend strongly on the exchange‐correlation functional used, as in the case for electronic calculations (e.g. band gap) in other actinide oxides .…”

Section: Introductionmentioning

confidence: 60%

“…with a demarcation indicating the nominal division between the XANES and EXAFS regions. The XANES spectra have been previously analyzed in detail .…”

Section: Methodsmentioning

confidence: 99%

Analysis of oxygen shell splitting in hydrothermally grown single crystal ThO₂(200)

Kelly

Petrosky

McClory

et al. 2015

Physica Rapid Research Ltrs

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Single crystals of ThO2 have been synthesized using hydrothermal growth and studied using the X‐ray absorption fine structure (XAFS) technique. The extended X‐ray absorption fine structure (EXAFS) has been extracted from the XAFS and analyzed using a novel, computational Latin hypercube sampling method. The methodology not only confirms the expected space group and crystal structure, it also identifies the origin of a previously reported split O shell. Since EXAFS is a local order analysis technique, the O shell splitting is identified as an O atom occupying an interstitial site. This result is significant for examining O2– transport in a ThO2 matrix and corroborating research indicating partial Th 5f occupancy that is similar to hyper‐stoichiometric UO2+x compounds. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)

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The unoccupied electronic structure characterization of hydrothermally grown ThO₂ single crystals

Cited by 21 publications

References 25 publications

Band-to-band transitions and critical points in the near-infrared to vacuum ultraviolet dielectric functions of single crystal urania and thoria

Band-to-band transitions and critical points in the near-infrared to vacuum ultraviolet dielectric functions of single crystal urania and thoria

Electrical and material properties of hydrothermally grown single crystal (111) UO2

Analysis of oxygen shell splitting in hydrothermally grown single crystal ThO₂(200)

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The unoccupied electronic structure characterization of hydrothermally grown ThO2 single crystals

Cited by 21 publications

References 25 publications

Band-to-band transitions and critical points in the near-infrared to vacuum ultraviolet dielectric functions of single crystal urania and thoria

Band-to-band transitions and critical points in the near-infrared to vacuum ultraviolet dielectric functions of single crystal urania and thoria

Electrical and material properties of hydrothermally grown single crystal (111) UO2

Analysis of oxygen shell splitting in hydrothermally grown single crystal ThO2(200)

Contact Info

Product

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About

The unoccupied electronic structure characterization of hydrothermally grown ThO₂ single crystals

Analysis of oxygen shell splitting in hydrothermally grown single crystal ThO₂(200)