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Philosophical Magazine B Volume 81, 2001 - Issue 12
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Original Articles

Oxygen-vacancy defects on the SrTiO3(001) surface: a quantum-chemical study

A. Stashans Centro de Investigación en Física de la Materia Condensada, Corporación de Física Fundamental y Aplicada, Apartado 17-12-637, Quito, Ecuador
,
F. Erazo Centro de Investigación en Física de la Materia Condensada, Corporación de Física Fundamental y Aplicada, Apartado 17-12-637, Quito, Ecuador
,
J. Ortiz Centro de Investigación en Física de la Materia Condensada, Corporación de Física Fundamental y Aplicada, Apartado 17-12-637, Quito, Ecuador
&
P. Valverde Centro de Investigación en Física de la Materia Condensada, Corporación de Física Fundamental y Aplicada, Apartado 17-12-637, Quito, Ecuador
Pages 1977-1988 | Received 31 Jan 2001, Accepted 29 May 2001, Published online: 25 Aug 2009

Citations (23)

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Read on this site (5)

S. Serrano, L. A. Celi & A. Stashans. (2007) Structural and electronic effects of an Nb impurity in PZT crystals. Philosophical Magazine 87:24, pages 3545-3554.
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D. S. Deak. (2007) Strontium titanate surfaces. Materials Science and Technology 23:2, pages 127-136.
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Ricardo Viteri, Diego Ortiz & Arvids Stashans. (2004) Quantum–chemical study of photo–excited states in tetragonal SrTiO3 lattice. Philosophical Magazine 84:10, pages 1057-1063.
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Milagros Castillo, Carmen Velasco & Arvids Stashans. (2003) The H atom in CaTiO 3 : Structure and electronic properties. Philosophical Magazine 83:15, pages 1845-1854.
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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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Articles from other publishers (18)

Runhong Huang, Victor Fung, Yafen Zhang, David R. Mullins, Zili Wu & De-en Jiang. (2018) Understanding Methanol Coupling on SrTiO 3 from First Principles . The Journal of Physical Chemistry C 122:13, pages 7210-7216.
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Silvia Carlotto, Marta Maria Natile, Antonella Glisenti & Andrea Vittadini. (2015) Adsorption of small molecules at the cobalt-doped SrTiO3(001) surface: A first-principles investigation. Surface Science 633, pages 68-76.
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DARWIN CASTILLO, JORGE ONTANEDA & ARVIDS STASHANS. (2014) GEOMETRY OF DOPAMINE ADSORPTION ON RUTILE (110) SURFACE. International Journal of Modern Physics B 28:10, pages 1450071.
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James A. Enterkin, Andres E. Becerra-Toledo, Kenneth R. Poeppelmeier & Laurence D. Marks. (2012) A chemical approach to understanding oxide surfaces. Surface Science 606:3-4, pages 344-355.
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Robert A. EvarestovRobert A. Evarestov. 2012. Quantum Chemistry of Solids. Quantum Chemistry of Solids 541 601 .
Arvids Stashans, Lorena Piedra & Tamara Briceño. (2010) Fundamental and excited states of F-type centres in MgSiO3 perovskite. Physica B: Condensed Matter 405:20, pages 4350-4354.
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ARVIDS STASHANS & RICHARD RIVERA. (2011) F-CENTER IMPACT ON PHOTOELECTROCHEMICAL PROPERTIES IN HEMATITE. Modern Physics Letters B 24:18, pages 1963-1970.
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Arvids Stashans & Luis Villamagua. (2009) Schottky defects in cubic lattice of SrTiO3. Journal of Physics and Chemistry of Solids 70:2, pages 417-421.
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Xu Gao, Jiang Yin, Yidong Xia, Kuibo Yin, Ligang Gao, Hongxuan Guo & Zhiguo Liu. (2008) The thermal stability and electrical properties of LaErO 3 films as high- k gate dielectrics . Journal of Physics D: Applied Physics 41:23, pages 235105.
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Yuri F. Zhukovskii, Eugene A. Kotomin, Robert A. Evarestov & Donald E. Ellis. (2007) Periodic models in quantum chemical simulations ofF centers in crystalline metal oxides. International Journal of Quantum Chemistry 107:14, pages 2956-2985.
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Arvids Stashans, Sheyla Serrano & Paúl Medina. (2006) A quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals. Physica B: Condensed Matter 381:1-2, pages 82-89.
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J. Carrasco, F. Illas, N. Lopez, E. A. Kotomin, Yu. F. Zhukovskii, R. A. Evarestov, Yu. A. Mastrikov, S. Piskunov & J. Maier. (2006) First-principles calculations of the atomic and electronic structure of centers in the bulk and on the (001) surface of . Physical Review B 73:6.
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Arvids Stashans, Ricardo Viteri & Javier Torres. (2006) Ethanol adsorption on SrTiO3 surfaces. International Journal of Quantum Chemistry 106:7, pages 1715-1719.
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Carlos Duque & Arvids Stashans. (2003) Oxygen-vacancy defects on BaTiO3 (001) surface: a quantum chemical study. Physica B: Condensed Matter 336:3-4, pages 227-235.
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Carlos Duque & Arvids Stashans. (2003) Structural and optical properties of F-center defects on barium titanate 〈001〉 surface. Materials Letters 57:24-25, pages 3954-3957.
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Paul Sánchez & Arvids Stashans. (2003) Computational study of Nb-doped SrTiO3. Materials Letters 57:12, pages 1844-1847.
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Luis Miguel Prócel, Francisco Tipán & Arvids Stashans. (2003) Mott-Wannier excitons in the tetragonal BaTiO 3 lattice . International Journal of Quantum Chemistry 91:4, pages 586-590.
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Arvids Stashans & Sheyla Serrano. (2002) A quantum-chemical study of polar SrTiO3() surface and oxygen-vacancy defects therein. Surface Science 497:1-3, pages 285-293.
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