Lee, Chan-Woo, Behera, Rakesh K., Okamoto, Satoshi, Devanathan, Ram, Wachsman, Eric D., Phillpot, Simon R., Sinnott, Susan B. (2011) Stabilization Mechanisms of LaFeO3 (010) Surfaces Determined with First Principles Calculations. Journal of the American Ceramic Society, 94 (6). 1931-1939 doi:10.1111/j.1551-2916.2010.04318.x

See Also

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	Lee, Chan-Woo, Behera, Rakesh K., Wachsman, Eric D., Phillpot, Simon R., Sinnott, Susan B. (2011) Stoichiometry of theLaFeO3(010) surface determined from first-principles and thermodynamic calculations. Physical Review B, 83 (11) doi:10.1103/physrevb.83.115418
	Aidhy, Dilpuneet S., Nino, Juan C., Sinnott, Susan B., Wachsman, Eric D., Phillpot, Simon R. (2008) Vacancy-Ordered Structure of Cubic Bismuth Oxide from Simulation and Crystallographic Analysis. Journal of the American Ceramic Society, 91 (7). 2349-2356 doi:10.1111/j.1551-2916.2008.02463.x
	Behera, Rakesh K, Lee, Chan-Woo, Lee, Donghwa, Morozovska, Anna N, Sinnott, Susan B, Asthagiri, Aravind, Gopalan, Venkatraman, Phillpot, Simon R (2011) Structure and energetics of 180° domain walls in PbTiO3by density functional theory. Journal of Physics: Condensed Matter, 23 (17). 175902pp. doi:10.1088/0953-8984/23/17/175902
	Xu (徐海譞), Haixuan, Behera, Rakesh K., Wang (王艳丽), Yanli, Ebrahimi, Fereshteh, Sinnott, Susan B., Wachsman, Eric D., Phillpot, Simon R. (2010) A critical assessment of interatomic potentials for ceria with application to its elastic properties. Solid State Ionics, 181 (11) 551-556 doi:10.1016/j.ssi.2010.02.023
	Nerikar, Pankaj V., Rudman, Karin, Desai, Tapan G., Byler, Darrin, Unal, Cetin, McClellan, Kenneth J., Phillpot, Simon R., Sinnott, Susan B., Peralta, Pedro, Uberuaga, Blas P., Stanek, Christopher R. (2011) Grain Boundaries in Uranium Dioxide: Scanning Electron Microscopy Experiments and Atomistic Simulations. Journal of the American Ceramic Society, 94 (6). 1893-1900 doi:10.1111/j.1551-2916.2010.04295.x
	Hong, Minki, Wohlwend, Jennifer L., Behera, Rakesh K., Phillpot, Simon R., Sinnott, Susan B., Uberuaga, Blas P. (2013) Surface diffusion on SrTiO3 (100): A temperature accelerated dynamics and first principles study. Surface Science, 617. 237-241 doi:10.1016/j.susc.2013.08.002
	Watanabe, Taku, Srivilliputhur, Srinivasan G., Schelling, Patrick K., Tulenko, James S., Sinnott, Susan B., Phillpot, Simon R. (2009) Thermal Transport in Off-Stoichiometric Uranium Dioxide by Atomic Level Simulation. Journal of the American Ceramic Society, 92 (4). 850-856 doi:10.1111/j.1551-2916.2009.02966.x
	Wohlwend, Jennifer L., Behera, Rakesh K., Jang, Inkook, Phillpot, Simon R., Sinnott, Susan B. (2009) Morphology and growth modes of metal-oxides deposited on SrTiO3. Surface Science, 603 (6). 873-880 doi:10.1016/j.susc.2009.01.035
	Lee, Donghwa, Behera, Rakesh K., Wu, Pingping, Xu, Haixuan, Li, Y. L., Sinnott, Susan B., Phillpot, Simon R., Chen, L. Q., Gopalan, Venkatraman (2009) Mixed Bloch-Néel-Ising character of180°ferroelectric domain walls. Physical Review B, 80 (6) doi:10.1103/physrevb.80.060102
	Xu, Haixuan, Lee, Donghwa, Sinnott, Susan B., Gopalan, Venkatraman, Dierolf, Volkmar, Phillpot, Simon R. (2009) Structure and energetics of Er defects inLiNbO3from first-principles and thermodynamic calculations. Physical Review B, 80 (14) doi:10.1103/physrevb.80.144104
	Hong, Minki, Lee, Dong-Hwa, Phillpot, Simon R., Sinnott, Susan B. (2014) A Mechanism for TiO2 Formation on Stepped TiN(001) from First-Principles Calculations. The Journal of Physical Chemistry C, 118 (1). 384-388 doi:10.1021/jp409494q