105
Views
4
CrossRef citations to date
0
Altmetric
Articles

Electronic, magnetic and optical properties of charge-compensated (Nb, TM = Fe, Cr)-codoped SrTiO3 from first principles

, , &
Pages 68-78 | Received 27 Nov 2017, Accepted 08 Jul 2018, Published online: 13 May 2019

References

  • N. Serpone , and A. V. Emeline , Semiconductor Photocatalysis - Past, Present, and Future Outlook, J. Phys. Chem. Lett. 3 (5), 673 (2012).
  • M. R. Hoffmann , et al. , Environmental applications of semiconductor photocatalysis, Chem. Rev. 95 (1), 69 (1995).
  • F. Opoku , et al. , Enhancing charge separation and photocatalytic activity of cubic SrTiO3 with perovskite‐pype materials MTaO3 (M = Na, K) for environmental remediation: A first-principles Study, Chemistryselect. 2 (22), 6304 (2017).
  • P. Reunchan , et al. , Theoretical design of highly active SrTiO3-based photocatalysts by a codoping scheme towards solar energy utilization for hydrogen production, J. Mater. Chem. A. 1 (13), 4221 (2013).
  • Z. Yao , et al. , Improved energy-storage performance and breakdown enhancement mechanism of Mg-doped SrTiO3 bulk ceramics for high energy density capacitor applications, J. Mater. Sci: Mater. Electron. 28 (15), 11491 (2017).
  • A. Tkach , P. M. Vilarinho , and A. L. Kholkin , Polar behavior in Mn-doped SrTiO3 ceramics, Appl. Phys. Lett. 86 (17), 172902 (2005).
  • B. T. Phan , and J. Lee , Nonadiabatic small polaron tunneling conduction in reduced Cr-doped SrTiO3−δ thin films, Appl. Phys. Lett. 94 (23), 232102 (2009).
  • X. Zhou , J. Shi , and C. Li , Effect of metal doping on electronic structure and visible light absorption of SrTiO3 and NaTaO3 (Metal = Mn, Fe, and Co), J. Phys. Chem. C. 115 (16), 8305 (2011).
  • J. S. Wang , et al. , Preparation and photocatalyticactivity of visible light-active sulfur and nitrogen co-doped SrTiO3 , Solid State Sci. 11 (1), 182 (2009).
  • C. Zhang , et al. , Effect of non-metalelements (B, C, N, F, P, S) mono-doping as anions on electronicstructure of SrTiO3 , Comp. Mater. Sci. 79, 69 (2013).
  • S. J. Jiao , et al. , Electronic structures and optical properties of Nb-doped SrTiO3 from first principles, J. Semicond. 37 (7), 072001 (2016).
  • C. Zhang , et al. , Substitutional position and insulator-to-metal transition in Nb-doped SrTiO3 , Mater. Chem. Phys. 107 (2–3), 215 (2008).
  • X. G. Guo , et al. , Electronic band structure of Nb doped SrTiO3 from first principles calculation, Phys. Lett. A. 317 (5–6), 501 (2003).
  • H. Tsuda , M. Kuraoka , and D. Matsumoto , Optical absorption in pure SrTiO3 and Nb doped SrTiO3 , Ferroelectrics. 411 (1), 58 (2010).
  • T. Hara , and K. Shinozaki , Effect of oxygen adsorption on polaron conduction in nanometer-scale Nb5+-, Fe3+-, and Cr3+-doped SrTiO3 thin films, Jpn. J. Appl. Phys. 50 (6), 065807 (2011).
  • J. M. D. Coey , High-temperature ferromagnetism in dilute magnetic oxides, J. Appl. Phys. 97 (10), 854 (2005).
  • Y. Matsumoto , et al. , Room-temperature ferromagnetism in transparent transition metal-doped titanium dioxide, Science. 291 (5505), 854 (2001).
  • S. N. Kale , et al. , Magnetism in Cobalt doped Cu2O and CuO thin films with and without Al, V, Zn codopants, Appl. Phys. Lett. 82 (13), 2100 (2003).
  • J. He , et al. , Induction and control of room-temperature ferromagnetism in dilute Fe-doped SrTiO3 ceramics, Appl. Phys. Lett. 107 (1), 125124 (2015).
  • S. X. Zhang , W. Yu , and S. B. Ogale , Shinde Magnetism and anomalous hall effect in Co-(La, Sr)TiO3 , Phys. Rev. B. 76 (8), 085323 (2007).
  • S.-Y. Zhang , et al. , Magnetic and electrical properties of (Mn, La)-codoped SrTiO3 thin films, J. Am. Ceram. Soc. 91 (10), 3263 (2008).
  • J. Inaba , and T. Katsufuji , Large magnetoresistance in spin- and carrier-doped SrTiO3 , Phys. Rev. B. 72, 052408 (2005).
  • Z. Q. Liu , et al. , Reversible room-temperature ferromagnetism in Nb-doped SrTiO3 single crystals, Phys. Rev. B. 87 (22), 3249 (2012).
  • S. X. Zhang , et al. , Search for ferromagnetism in conductive Nb:SrTiO3 with magnetic transition element (Cr, Co, Fe, Mn) dopants, Appl. Phys. Lett. 89 (1), 012501 (2006).
  • S. J. Clark , et al. , First principles methods using CASTEP, Z. kristallogr. 220 (5), 567 (2005).
  • J. P. Perdew , S. Burke , and M. Ernzerhof , Generalized gradient approximation made simple, Phys. Rev. Lett. 77 (18), 3865 (1996).
  • F.-F. Ge , et al. , The structure and defect formation energy in tetragonal PbTiO3: Initio calculation, Ferroelectrics. 401 (1), 154 (2010).
  • R. H. Mitchell , A. R. Chakhmouradian , and P. M. Woodward , Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1 − 2xNaxLax)TiO3 , Phys. Chem. Minerals. 27 (8), 583 (2000).
  • Y. Zhu , et al. , Microstructural analyses of a highly conductive Nb-doped SrTiO3 film, Acta Mater. 53 (5), 1277 (2005).
  • A. R. Benrekia , et al. , Structural, electronic and optical properties of cubic SrTiO3 and KTaO3: ab initio and GW calculations, Physica B. 407 (13), 2632 (2012).
  • J. C. Li , et al. , Electronic structure and thermoelectric properties of Fe-doped BaTiO3 and SrTiO3 , J. Phys. D Appl. Phys. 45 (12), 175 (2007).
  • D. F. Wang , et al. , Photophysical and photocatalytic properties of SrTiO3 doped with Cr cations on different sites, J. Phys. Chem. B. 110 (32), 15824 (2006).

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.