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Heteroepitaxial growth of MgO(111) thin films on Al2O3(0001): Evidence of a wurtzite to rocksalt transformation

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We report on a growth study of MgO films deposited on Al2O3(0001) substrates by magnetron sputtering. The films exhibited a preferred rocksalt MgO(111) orientation. Surprisingly, depending on the O2 gas flow ratio, a structure of graphiticlike wurtzite MgO(0001) has been revealed. The observed Mg-O perpendicular bond length reduction is accompanied by an atomically flat surface morphology for the development of MgO(111) films; the transition to the bulk rocksalt structure occurs in the 3-6 nm coverage range. Previously, relaxation of the electrostatic instability of MgO(111) films accompanied by an in-plane lattice increase has been suggested theoretically [Phys. Rev. Lett. 98, 205701 (2007)]. Here, relying on ab initio calculations, we infer that Mg vacancies facilitate the lattice match with the substrate. This mechanism suggests methods to engineer oxide heterostructures.

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MARTÍNEZ BOUBETA, José carlos, BOTANA, Antía s., PARDO, Víctor, BALDOMIR, Daniel, ANTONY, Aldrin, BERTOMEU I BALAGUERÓ, Joan, REBLED, J. m. (josé manuel), LÓPEZ CONESA, Lluís, ESTRADÉ ALBIOL, Sònia, PEIRÓ MARTÍNEZ, Francisca. Heteroepitaxial growth of MgO(111) thin films on Al2O3(0001): Evidence of a wurtzite to rocksalt transformation. _Physical Review B_. 2012. Vol. 86, núm. 4, pàgs. 041407-1-041407-5. [consulta: 13 de febrer de 2026]. ISSN: 1098-0121. [Disponible a: https://hdl.handle.net/2445/36355]

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