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Sushko PV, Qiao L, Bowden M, et al. Multiband optical absorption controlled by lattice strain in thin-film LaCrO3. Phys Rev Lett. 2013;110(7):077401doi: 10.1103/PhysRevLett.110.077401.
Sushko, P. V., Qiao, L., Bowden, M., Varga, T., Exarhos, G. J., Urban, F. K., Barton, D., & Chambers, S. A. (2013). Multiband optical absorption controlled by lattice strain in thin-film LaCrO3. Physical review letters, 110(7), 077401. https://doi.org/10.1103/PhysRevLett.110.077401
Sushko, Peter V, et al. "Multiband optical absorption controlled by lattice strain in thin-film LaCrO3." Physical review letters vol. 110,7 (2013): 077401. doi: https://doi.org/10.1103/PhysRevLett.110.077401
Sushko PV, Qiao L, Bowden M, Varga T, Exarhos GJ, Urban FK, Barton D, Chambers SA. Multiband optical absorption controlled by lattice strain in thin-film LaCrO3. Phys Rev Lett. 2013 Feb 15;110(7):077401. doi: 10.1103/PhysRevLett.110.077401. Epub 2013 Feb 11. PMID: 25166405.
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Phys Rev Lett. 2013 Feb 15;110(7):077401. doi: 10.1103/PhysRevLett.110.077401. Epub 2013 Feb 11.

Multiband optical absorption controlled by lattice strain in thin-film LaCrO3.

Physical review letters

Peter V Sushko, Liang Qiao, Mark Bowden, Tamas Varga, Gregory J Exarhos, Frank K Urban, David Barton, Scott A Chambers

Affiliations

  1. Department of Physics & Astronomy and the London Centre for Nanotechnology, University College London, Gower Street, London WC1E 6BT, United Kingdom.
  2. Pacific Northwest National Laboratory, Richland, Washington 99352, USA.
  3. Department of Electrical and Computer Engineering, Florida International University, Miami, Florida 33174, USA.

PMID: 25166405 DOI: 10.1103/PhysRevLett.110.077401

Abstract

Experimental measurements and ab initio modeling of the optical transitions in strained G-type antiferromagnetic LaCrO(3) resolve two decades of debate regarding the magnitude of the band gap and the character of the optical absorption spectrum in the visible-to-ultraviolet (up to ∼5  eV) range in this material. Using time-dependent density functional theory and accounting for thermal disorder effects, we demonstrate that the four most prominent low-energy absorption features are due to intra-Cr t(2g)-e(g) (2.7, 3.6 eV), inter-Cr t(2g)-t(2g) (4.4 eV), and interion O 2p-Cr 3d (from ∼5  eV) transitions and show that the excitation energies of the latter type can be strongly affected by the lattice strain.

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