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Philosophical Magazine B Volume 67, 1993 - Issue 4
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Original Articles

Mechanism of self-trapped hole motion in corundum crystals

P. W.M. Jacob Centre for Chemical Physics, The University of Western Ontario, London, N6A3K7, Canada
,
E. A. Kotomin Centre for Chemical Physics, The University of Western Ontario, London, N6A3K7, Canada; Institute for Solid State Physics, University of Latvia, 226098, Riga, Latvia
,
A. Stashans Institute for Solid State Physics, University of Latvia, 226098, Riga, Latvia
&
I. A. Tale Institute for Solid State Physics, University of Latvia, 226098, Riga, Latvia
Pages 557-567 | Received 17 Jun 1992, Accepted 12 Oct 1992, Published online: 20 Nov 2006

Citations (13)

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Read on this site (3)

Arvids Stashans & Johnny Chimborazo. (2002) Effect of interstitial hydrogen on structural and electronic properties of BaTiO3 . Philosophical Magazine B 82:10, pages 1145-1154.
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A. Stashans, F. Erazo, J. Ortiz & P. Valverde. (2001) Oxygen-vacancy defects on the SrTiO3(001) surface: a quantum-chemical study. Philosophical Magazine B 81:12, pages 1977-1988.
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F. Erazo & A. Stashans. (2000) Quantum-chemical studies of Nb-doped CaTiO3 . Philosophical Magazine B 80:8, pages 1499-1506.
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Articles from other publishers (10)

A. Henningsson, A. Stashans, A. Sandell, H. Rensmo, S. Södergren, H. Lindström, L. Vayssieres, A. Hagfeldt, S. Lunell & H. Siegbahn. 2004. A Tribute Volume in Honor of Professor Osvaldo Goscinski. A Tribute Volume in Honor of Professor Osvaldo Goscinski 23 36 .
Franklin Erazo & Arvids Stashans. (2002) Structural and electronic properties of La‐doped CaTiO 3 crystal . International Journal of Quantum Chemistry 87:4, pages 225-231.
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E.A. Kotomin & A.I. Popov. (1998) Radiation-induced point defects in simple oxides. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 141:1-4, pages 1-15.
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Yu F Zhukovskii, A A Sokol, E A Kotomin, C R A Catlow & R M Nieminen. (1997) Semi-empirical supercell calculations for free- and bound-hole polarons in crystal. Journal of Physics: Condensed Matter 9:17, pages 3559-3573.
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Yu.F. Zhukovskii, E.A. Kotomin, R.M. Nieminen & A. Stashans. (1997) Quantum-chemical simulations of free and bound hole polarons in corundum crystal. Computational Materials Science 7:3, pages 285-294.
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A. Stashans, S. Lunell & R.W. Grimes. (1996) Theoretical study of perfect and defective TiO2 crystals. Journal of Physics and Chemistry of Solids 57:9, pages 1293-1301.
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E. A. Kotomin, A. Stashans, L. N. Kantorovich, A. I. Lifshitz, A. I. Popov, I. A. Tale & J.-L. Calais. (1995) Calculations of the geometry and optical properties of centers and dimer ( -type) centers in corundum crystals . Physical Review B 51:14, pages 8770-8778.
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L. Kantorovich, A. Stashans, E. Kotomin & P. W. M. Jacobs. (2004) Quantum chemical simulations of hole self‐trapping in semi‐ionic crystals. International Journal of Quantum Chemistry 52:5, pages 1177-1198.
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A. Stashans, E. Kotomin & J.-L. Calais. (1994) Calculations of the ground and excited states of F -type centers in corundum crystals . Physical Review B 49:21, pages 14854-14858.
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E.A. Kotomin & P.W.M. Jacobs. (1994) Theoretical simulations of the radiation-induced defect processes in insulating materials. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 91:1-4, pages 52-59.
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