Iles, N., Driss Khodja, K., Kellou, A., Aubert, P. (2014) Surface structure and polarization of cubic and tetragonal BaTiO3: An ab initio study. Computational Materials Science, 87. 123-128 doi:10.1016/j.commatsci.2014.02.015

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Reference Type	Journal (article/letter/editorial)
Title	Surface structure and polarization of cubic and tetragonal BaTiO3: An ab initio study
Journal	Computational Materials Science
Authors	Iles, N.		Author
	Driss Khodja, K.		Author
	Kellou, A.		Author
	Aubert, P.		Author
Year	2014 (May)	Volume	87
Publisher	Elsevier BV
DOI	doi:10.1016/j.commatsci.2014.02.015Search in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	9508337	Long-form Identifier	mindat:1:5:9508337:7
GUID	0
Full Reference	Iles, N., Driss Khodja, K., Kellou, A., Aubert, P. (2014) Surface structure and polarization of cubic and tetragonal BaTiO3: An ab initio study. Computational Materials Science, 87. 123-128 doi:10.1016/j.commatsci.2014.02.015
Plain Text	Iles, N., Driss Khodja, K., Kellou, A., Aubert, P. (2014) Surface structure and polarization of cubic and tetragonal BaTiO3: An ab initio study. Computational Materials Science, 87. 123-128 doi:10.1016/j.commatsci.2014.02.015
In	(n.d.) Computational Materials Science Vol. 87. Elsevier BV

	Iles, N., Kellou, A., Driss Khodja, K., Amrani, B., Lemoigno, F., Bourbie, D., Aourag, H. (2007) Atomistic study of structural, elastic, electronic and thermal properties of perovskites Ba(Ti,Zr,Nb)O3. Computational Materials Science, 39 (4). 896-902 doi:10.1016/j.commatsci.2006.10.012
	Piskunov, S, Heifets, E, Eglitis, R.I, Borstel, G (2004) Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study. Computational Materials Science, 29 (2). 165-178 doi:10.1016/j.commatsci.2003.08.036
	Holec, David, Fischer, Franz Dieter, Vollath, Dieter (2017) Structure and surface energy of Au 55 nanoparticles: An ab initio study. Computational Materials Science, 134. 137-144 doi:10.1016/j.commatsci.2017.03.038
	Boudali, A., Amrani, B., Driss khodja, M., Abada, A., Amara, K. (2009) First-principles study of structural, elastic, electronic, and thermal properties of LaAlO3 perovskite. Computational Materials Science, 45 (4). 1068-1072 doi:10.1016/j.commatsci.2009.01.011
	Herrera-Suárez, H.J., Rubio-Ponce, A., Olguín, D. (2012) Electronic band structure of the Pt(111) surface: An ab initio and tight-binding study – I. Computational Materials Science, 56. 141-146 doi:10.1016/j.commatsci.2011.11.017
	Drief, F., Kacimi, S., Zaoui, A. (2014) Electronic structure of iron-pnictide EuFe2M2 (M=As, P) compounds: A comparative ab initio study. Computational Materials Science, 84. 97-102 doi:10.1016/j.commatsci.2013.11.042
	Watanabe, Yukio (2019) Accurate semiempirical analytical formulas for spontaneous polarization by crystallographic parameters of SrTiO3-BaTiO3 system by ab initio calculations. Computational Materials Science, 158. 315-323 doi:10.1016/j.commatsci.2018.11.043
	Malakkal, Linu, Szpunar, Barbara, Siripurapu, Ravi Kiran, Szpunar, Jerzy A. (2017) Thermal conductivity of bulk and nanowire of cubic-SiC from ab initio calculations. Computational Materials Science, 128. 249-256 doi:10.1016/j.commatsci.2016.11.040
	Iles, Nadia, Bezzalla, Ayyoub, Elchikh, Motkhtar (2023) Enhancement of electric polarization in ultrathin half-metallic [BaFeO₃]_m/[BaTiO₃]_n superlattices : an ab initio study. Physica Scripta, 98 (10) 105955 doi:10.1088/1402-4896/acf890
	Han, You Sung, Tomar, Vikas (2014) An ab initio study of the structure–strength correlation in impact damaged SiC grain boundaries. Computational Materials Science, 82. 331-336 doi:10.1016/j.commatsci.2013.10.008
	*Bujakiewicz-Koronska, Renata (2013) Ab initio calculations for the tetragonal PbZr0.5Ti0.5O3. Computational Materials Science, 77. 399-402 doi:10.1016/j.commatsci.2013.05.009*

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Iles, N., Driss Khodja, K., Kellou, A., Aubert, P. (2014) Surface structure and polarization of cubic and tetragonal BaTiO3: An ab initio study. Computational Materials Science, 87. 123-128 doi:10.1016/j.commatsci.2014.02.015

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