The surface stability of Cr2O3 (0 0 0 1)

Cao, Shi; Wu, Ning; Echtenkamp, William; Lauter, Valeria; Ambaye, Haile; Komesu, Takashi; Binek, Christian; Dowben, Peter A.

doi:10.1088/0953-8984/27/25/255003

Title: The surface stability of Cr₂O₃ (0 0 0 1)

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Abstract

The surface of chromia (Cr₂O₃) has a surface electronic structure distinct from the bulk and a packing density distinct from the bulk. More than a demarcation between the solid and the vacuum, the surface differs from the bulk of chromia, not just because of a partial occupancy of chromium sites, but also because of an increased number of unoccupied surface oxygen sites (vacancy sites), evident in angle-resolved core level photoemission. In spite of the structural differences that exist at the surface, there is, as yet, no evidence that these complications affect the surface Debye temperature beyond the most simple of assumptions regarding the lower coordination of the surface. Using low-energy electron diffraction (LEED), the effective surface Debye temperature (similar to 490 K) is found to be lower than the bulk (similar to 645 K) Debye temperature of Cr₂O₃(0 0 0 1). This surface effective Debye temperature, indicative of vibrations along the surface normal, uncorrected for anharmonic effects, has a value reduced from the effective bulk Debye temperature yet close to the value root 2 expected from a simple mean field argument.

Authors:

Cao, Shi ^[1]; Wu, Ning ^[1]; Echtenkamp, William ^[2];

^[2];

^[2]; Komesu, Takashi ^[1]; Binek, Christian ^[1];

^[1]

Univ. of Nebraska, Lincoln, NE (United States). Dept. of Physics and Astronomy
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Publication Date:: Thu May 28 00:00:00 EDT 2015

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1393875

Alternate Identifier(s):: OSTI ID: 1238857

Grant/Contract Number:: AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Physics. Condensed Matter

Additional Journal Information:: Journal Volume: 27; Journal Issue: 25; Journal ID: ISSN 0953-8984

Publisher:: IOP Publishing

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Cao, Shi, Wu, Ning, Echtenkamp, William, Lauter, Valeria, Ambaye, Haile, Komesu, Takashi, Binek, Christian, and Dowben, Peter A. The surface stability of Cr2O3 (0 0 0 1).  United States: N. p., 2015. 
Web.  doi:10.1088/0953-8984/27/25/255003.

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                    Cao, Shi, Wu, Ning, Echtenkamp, William, Lauter, Valeria, Ambaye, Haile, Komesu, Takashi, Binek, Christian, & Dowben, Peter A. The surface stability of Cr2O3 (0 0 0 1).  United States.  https://doi.org/10.1088/0953-8984/27/25/255003

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                    Cao, Shi, Wu, Ning, Echtenkamp, William, Lauter, Valeria, Ambaye, Haile, Komesu, Takashi, Binek, Christian, and Dowben, Peter A. Thu .  
"The surface stability of Cr2O3 (0 0 0 1)".  United States.  https://doi.org/10.1088/0953-8984/27/25/255003.  https://www.osti.gov/servlets/purl/1393875.

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@article{osti_1393875,

  title        = {The surface stability of Cr2O3 (0 0 0 1)},

  author       = {Cao, Shi and Wu, Ning and Echtenkamp, William and Lauter, Valeria and Ambaye, Haile and Komesu, Takashi and Binek, Christian and Dowben, Peter A.},

  abstractNote = {The surface of chromia (Cr2O3) has a surface electronic structure distinct from the bulk and a packing density distinct from the bulk. More than a demarcation between the solid and the vacuum, the surface differs from the bulk of chromia, not just because of a partial occupancy of chromium sites, but also because of an increased number of unoccupied surface oxygen sites (vacancy sites), evident in angle-resolved core level photoemission. In spite of the structural differences that exist at the surface, there is, as yet, no evidence that these complications affect the surface Debye temperature beyond the most simple of assumptions regarding the lower coordination of the surface. Using low-energy electron diffraction (LEED), the effective surface Debye temperature (similar to 490 K) is found to be lower than the bulk (similar to 645 K) Debye temperature of Cr2O3(0 0 0 1). This surface effective Debye temperature, indicative of vibrations along the surface normal, uncorrected for anharmonic effects, has a value reduced from the effective bulk Debye temperature yet close to the value root 2 expected from a simple mean field argument.},

  doi          = {10.1088/0953-8984/27/25/255003},

  journal      = {Journal of Physics. Condensed Matter},

  number       = 25,

  volume       = 27,

  place        = {United States},

  year         = {Thu May 28 00:00:00 EDT 2015},

  month        = {Thu May 28 00:00:00 EDT 2015}

}

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Title: The surface stability of Cr2O3 (0 0 0 1)

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Title: The surface stability of Cr₂O₃ (0 0 0 1)