Jaffe, John E., Van Ginhoven, Renée M., Jiang, Weilin (2012) Interstitial and substitutional zirconium in SrTiO3. Computational Materials Science, 53 (1). 153-157 doi:10.1016/j.commatsci.2011.08.023

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Reference Type	Journal (article/letter/editorial)
Title	Interstitial and substitutional zirconium in SrTiO3
Journal	Computational Materials Science
Authors	Jaffe, John E.		Author
	Van Ginhoven, Renée M.		Author
	Jiang, Weilin		Author
Year	2012 (February)	Volume	53
Issue	1
Publisher	Elsevier BV
DOI	doi:10.1016/j.commatsci.2011.08.023Search in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	9506780	Long-form Identifier	mindat:1:5:9506780:1
GUID	0
Full Reference	Jaffe, John E., Van Ginhoven, Renée M., Jiang, Weilin (2012) Interstitial and substitutional zirconium in SrTiO3. Computational Materials Science, 53 (1). 153-157 doi:10.1016/j.commatsci.2011.08.023
Plain Text	Jaffe, John E., Van Ginhoven, Renée M., Jiang, Weilin (2012) Interstitial and substitutional zirconium in SrTiO3. Computational Materials Science, 53 (1). 153-157 doi:10.1016/j.commatsci.2011.08.023
In	(2012, February) Computational Materials Science Vol. 53 (1) Elsevier BV

	Jiang, W., Van Ginhoven, R. M., Kovarik, L., Jaffe, J. E., Arey, B. W. (2012) Superlattice Structure and Precipitates in O+ and Zr+ Ion Coimplanted SrTiO3: A Model Waste Form for 90Sr. The Journal of Physical Chemistry C, 116 (31). 16709-16715 doi:10.1021/jp301343b
	Ouma, Cecil N.M., Meyer, Walter E. (2016) The carbon-substitutional–carbon-interstitial (CsCi) defect pair in silicon from hybrid functional calculations. Computational Materials Science, 118. 338-341 doi:10.1016/j.commatsci.2016.03.033
	Ji, Qing, Pellenq, Roland J.-M., Van Vliet, Krystyn J. (2012) Comparison of computational water models for simulation of calcium–silicate–hydrate. Computational Materials Science, 53 (1). 234-240 doi:10.1016/j.commatsci.2011.08.024
	Van Ginhoven, Renee M., Jaffe, John E., Kerisit, Sebastien, Rosso, Kevin M. (2010) Trapping of Holes and Excitons in Scintillators: CsI and ${\rm LaX}_{3}$ ( ${\rm X}={\rm Cl}$, Br) IEEE Transactions on Nuclear Science, 57 (4) 2303-2308 doi:10.1109/tns.2010.2052468
	Lontsi-Fomena, M., Villesuzanne, A., Doumerc, J.-P., Frayret, C., Pouchard, M. (2008) A density functional theory study of oxygen diffusion in LaAlO3 and SrTiO3. Computational Materials Science, 44 (1). 53-60 doi:10.1016/j.commatsci.2008.01.046
	Timkaeva, D.A.; Morozova, E.V.; Meftakhutdinov, R.M.; Sibatov, R.T. (2026) The effect of substitutional and interstitial defects (C, B, O, H) on the electronic structure and optical absorption of a MoS2/h-BN van der Waals heterostructure. Computational Materials Science, 261. doi:10.1016/j.commatsci.2025.114294
	Hu, Shenyang, Setyawan, Wahyu, Van Ginhoven, Renee M., Jiang, Weilin, Henager, Charles H., Kurtz, Richard J. (2014) Thermodynamic and kinetic properties of intrinsic defects and Mg transmutants in 3C–SiC determined by density functional theory. Journal of Nuclear Materials, 448 (1). 121-128 doi:10.1016/j.jnucmat.2014.01.035
	Svyatkin, L.A., Lopatina, O.V., Chernov, I.P., Koroteev, Yu. M. (2018) Core electron level shifts in zirconium induced by vacancy, helium and hydrogen. Computational Materials Science, 153. 176-182 doi:10.1016/j.commatsci.2018.06.034
	Van Ginhoven, Renée M., Chartier, Alain, Meis, Constantin, Weber, William J., René Corrales, L. (2006) Theoretical study of helium insertion and diffusion in 3C-SiC. Journal of Nuclear Materials, 348 (1). 51-59 doi:10.1016/j.jnucmat.2005.09.006
	*Ojaghi-Ilkhchi, M., Assadi, H. (2012) Modelling of electroreduction of porous oxides in molten salt. Computational Materials Science, 53 (1). 1-5 doi:10.1016/j.commatsci.2011.08.002*
	*Bittencourt, E. (2012) Numerical solution of crystal plasticity problems by a mixed formulation. Computational Materials Science, 63. 145-153 doi:10.1016/j.commatsci.2012.06.003*

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Jaffe, John E., Van Ginhoven, Renée M., Jiang, Weilin (2012) Interstitial and substitutional zirconium in SrTiO3. Computational Materials Science, 53 (1). 153-157 doi:10.1016/j.commatsci.2011.08.023

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