Strain, structure and electronic states in MBE grown (Nb,Ti)O{sub 2} mixed rutile

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We have grown and characterized epitaxial Nb{sub x}Ti{sub 1-x}O{sub 2} on TiO{sub 2}(11) and (100) for the purpose of investigating the role of chemically-inequivalent metal atoms on the thermal and photocatalytic properties of TiO{sub 2}. Our goal is to introduce, in a highly controlled fashion, a Group VA transition metal into the lattice of a Group IVA transition metal oxide without altering the crystallographic structure. So doing would alter the electronic structure in interesting and potentially useful ways by the addition of one valence electron per substituted metal atom. However, strain builds in the film as more Nb is added ... continued below

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13 p.

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Chambers, S. A.; Gao, Y. & Thevuthasan, S. October 1996.

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We have grown and characterized epitaxial Nb{sub x}Ti{sub 1-x}O{sub 2} on TiO{sub 2}(11) and (100) for the purpose of investigating the role of chemically-inequivalent metal atoms on the thermal and photocatalytic properties of TiO{sub 2}. Our goal is to introduce, in a highly controlled fashion, a Group VA transition metal into the lattice of a Group IVA transition metal oxide without altering the crystallographic structure. So doing would alter the electronic structure in interesting and potentially useful ways by the addition of one valence electron per substituted metal atom. However, strain builds in the film as more Nb is added at a rate which depends on the crystallographic orientation of the growth direction. Films grown along (110) can accommodate Nb mole fractions as high as {approximately}0.3 without forming misfit, dislocations, whereas those grown along (100) are limited to {approximately}10 at. % Nb. Nb-O bond lengths in Nb{sub x}Ti{sub 1-x}O{sub 2} are the same as Ti-O bond lengths in pure TiO{sub 2} prior to the onset of dislocation formation. The extra 4d valence electron per Nb atom forms a nonbonding band which is degenerate with bonding states in the valence band region.

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13 p.

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OSTI as DE96014376

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  • Spring meeting of the Materials Research Society (MRS), San Francisco, CA (United States), 8-12 Apr 1996

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  • Other: DE96014376
  • Report No.: ANL/MSD/CP--90867
  • Report No.: CONF-960401--70
  • Grant Number: AC06-76RL01830;W-31109-ENG-38
  • Office of Scientific & Technical Information Report Number: 379103
  • Archival Resource Key: ark:/67531/metadc688080

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  • October 1996

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  • July 25, 2015, 2:20 a.m.

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  • April 7, 2016, 6:52 p.m.

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Chambers, S. A.; Gao, Y. & Thevuthasan, S. Strain, structure and electronic states in MBE grown (Nb,Ti)O{sub 2} mixed rutile, article, October 1996; Richland, Washington. (digital.library.unt.edu/ark:/67531/metadc688080/: accessed September 24, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.