The crystal structure determines many of the physical properties of oxide perovskites (ABO3) and only a tiny modification of the lattice structure causes major changes in the functional properties through the interplay among spin, orbital and charge orders. The determination of distortions and their associated symmetries is a valuable asset for understanding the structure properties relationship and guiding the design of epitaxial oxide heterostructures and correlated electronic states. Here, the in-depth structural characterization of a 50 nm-LaVO3 thin film grown onto (110)-oriented DyScO3 by molecular beam epitaxy is reported. The heterostructure is investigated by means of X-ray diffraction, high-resolution and scanning transmission electron microscopies, scanning precession electron diffraction tomography and first-principles calculations. LaVO3 crystallizes in the orthorhombic Pbnm space group and is constrained by the substrate, which imposes a growth along the [110] orthorhombic direction, over the 140 deposited unit cells. The mapping of the reciprocal space allows determining the orientation of the film and refining the lattice parameters. Using scanning transmission electron microscopy, the structure of LaVO3 is analyzed, focusing on the determination of the antipolar displacement of the rare earth. Additionally, 3D electron diffraction enables to resolve the atomic positions of all species within the film.

CRISMAT Normandie Université CNRS ENSICAEN UNICAEN Caen 14000 France

Department of Structure Analysis Institute of Physics of the Czech Academy of Sciences Na Slovance 2 Prague 18200 Czechia

Université de Lorraine CNRS IJL Nancy F 54000 France

Zobrazit více v PubMed

Glazer A. M., Acta Crystallograpr. B 1972, 28, 3384.

Goodenough J. B., Prog. Solid State Ch. 1971, 5, 145.

Tokura Y., Nagaosa N., Science 2000, 288, 462. PubMed

Ahn Charles, Cavalleri A., Georges A., Ismail‐Beigi S., Millis A. J., Triscone J.‐M., Nat. Mater. 1998, 70, 1039. PubMed

van Thiel Thierry C., Fowlie J., Autieri C., Manca N., Šiškins M., Afanasiev D., Gariglio S., Caviglia A. D., ACS Materials Lett. 2020, 2, 389. PubMed PMC

Kumar D., David A., Fouchet A., Pautrat A., Varignon J., Jung C. U., Lüders U., Domengès B., Copie O., Ghosez P., Prellier W., Phys. Rev. B 2019, 99, 224405.

Kumar D., Fouchet A., David A., Cheikh A., Suraj T. S., Copie O., Jung C. U., Pautrat A., Ramachandra Rao M. S., Prellier W., Phys. Rev. Materials 2019, 3, 124413.

Copie O., Rotella H., Boullay P., Morales M., Pautrat A., Janolin P.‐E., Infante I. C., Pravathana D., Lüders U., Prellier W., J. Phys: Condens. Matter 2013, 25, 492201. PubMed

Copie O., Varignon J., Rotella H., Steciuk G., Boullay Ph., Pautrat A., David A., Mercey B., Ghosez P., Prellier W., Adv. Mater. 2017, 29, 1604112. PubMed

Fowlie J., Lichtensteiger C., Gibert M., Meley H., Willmott P., Triscone J.‐M., Nano Lett. 2019, 19, 4188. PubMed PMC

Rondinelli J. M., May S. J., Freeland J. W., Mater. Res. Soc. Bull. 2012, 37, 269.

Meley H., Tran M., Teyssier J., Krieger J. A., Prokscha T., Suter A., Salman Z., Viret M., van der Marel D., Gariglio S., Phys. Rev. B 2021, 103, 125112.

Radhakrishnan P., Geisler B., Fürsich K., Putzky D., Wang Y., Ilse S. E., Christiani G., Logvenov G., Wochner P., van Aken P. A ., Goering E., Pentcheva R., Benckiser E., Phys. Rev. B 2021, 104, L121102.

Radhakrishnan P., Geisler B., Fürsich K., Putzky D., Wang Y., Christiani G., Logvenov G., Wochner P., van Aken P. A., Pentcheva R., Benckiser E., Phys. Rev. B 2022, 105, 165117.

Miyasaka S., Okimoto Y., Iwama M., Tokura Y., Phys. Rev. B 2003, 68, 100406.

Zhou J.‐S., Goodenough J. B., Phys. Rev. Lett. 2005, 94, 065501. PubMed

Sage M. H., Blake G. R., Marquina C., Palstra T. T. M., Phys. Rev. B 2007, 76, 195102.

Masuno A., Terashima T., Takano M., Solid State Ion. 2004, 172, 275.

Hotta Y., Mukunoki Y., Susaki T., Hwang H. Y., Fitting L., Muller D. A., Appl. Phys. Lett 2006, 89, 031918.

Zhang H.‐T., Dedon L. R., Martin L. W., Engel‐Herbert R., Appl. Phys. Lett. 2015, 106, 233102.

Masset G., Copie O., Ghanbaja J., Dumesnil K., Pasquier L., Pierre D., Andrieu S., Phys. Rev. Materials 2020, 4, 064417.

Hotta Y., Susaki T., Hwang H. Y., Phys. Rev. Lett 2007, 99, 236805. PubMed

Zhou J.‐S., Goodenough J. B., Yan J.‐Q., Ren Y., Phys. Rev. Lett 2007, 99, 156401. PubMed

Wang L., Li Y., Bera A., Ma C., Jin F., Yuan K., Yin W., David A., Chen W., Wu W., Prellier W., Wei S., Wu T., Phys. Rev. Applied 2015, 3, 064015.

Zhang H.‐T., Brahlek M., Ji X., Lei S., Lapano J., Freeland J. W., Gopalan V., Engel‐Herbert R., ACS Appl. Mater. Interfaces 2017, 9, 12556. PubMed

Bousquet E., Dawber M., Stucki N., Lichtensteiger C., Hermet P., Gariglio S., Triscone J.‐M., Ghosez Ph., Nature 2008, 452, 732. PubMed

Benedek N. A., Fennie C. J., Phys. Rev. Lett. 2011, 106, 107204. PubMed

Rondinelli J. M., Fennie C. J., Adv. Mater. 2012, 24, 1961. PubMed

Varignon J., Bristowe N. C., Bousquet E., Ghosez P., Sci. Rep. 2015, 5, 15364. PubMed PMC

Rotella H., Lüders U., Janolin P.‐E., Dao V. H., Chateigner D., Feyerherm R., Dudzik E., Prellier W., Phys. Rev. B 2012, 85, 184101.

Rotella H., Copie O., Steciuk G., Ouerdane H., Boullay P., Roussel P., Morales M., David A., Pautrat A., Mercey B., Lutterotti L., Chateigner D., Prellier W., J. Phys.: Condens. Matter 2015, 27, 175001. PubMed

Meley H., Oberson Karandeep, L., de Bruijckere J., Alexander D. T. L., Triscone J.‐M., Ghosez Ph., Gariglio S., APL Mater. 2018, 6, 046102.

Radhakrishnan P., Rabinovich K. S., Boris A. V., Fürsich K., Minola M., Christiani G., Logvenov G., Keimer B., Benckiser E., Nat. Phys. 2025, 21, 126.

Alexander D. T. L., Meley H., Schmitt M. M., Mundet B., Ghosez Ph., Triscone J.‐M., Gariglio S., ACS Nano 2025, 19, 10126. PubMed PMC

Bordet P., Chaillout C., Marezio M., Huang Q., Santoro A., Cheong S‐W., Takagi H., Oglesby C. S., Batlogg B., J. Solid State Chemistry 1993, 106, 253.

Orobengoa D., Capillas C., Aroyo M. I., Perez‐Mato J. M., J. Appl. Crystallogr. 2009, 42, 820.

Perez‐Mato J. M., Orobengoa D., Aroyo M. I., Acta Cryst. A 2010, 66, 558. PubMed

Kügel K. I., Khomskii D. I., et al., Zh. Eksp. Teor. Fiz 1973, 64, 1429.

Nord M., Vullum P. E., MacLaren I., Tybell T., Holmestad R., Adv. Struct. Chem. Imag. 2017, 3, 9. PubMed PMC

Ramesh R., Chang C. C., Ravi T. S., Hwang D. M., Inam A., Xi X. X., Li Q., Wu X. D., Venkatesan T., Appl. Phys. Lett. 1990, 57, 1064.

Hamet J. F., Mercey B., Hervieu M., Poullain G., Raveau B., Physica C 1992, 198, 293.

Vailionis A., Boschker H., Siemons W., Houwman E. P., Blank D. H. A., Rijnders G., Koster G., Phys. Rev. B 2011, 83, 064101. PubMed

The refinement is done with CELREF: LMGP‐Suite Suite of Programs for the interpretation of X‐ray Experiments, http://www.ccp14.ac.uk/tutorial/lmgp/

Howard C. J., Stokes H. T., Acta Cryst. 1998, 54, 782.

Gemmi M., Mugnaioli E., Gorelik T. E., Kolb U., Palatinus L., Boullay Ph., Hovmöller S., Abrahams J. P., ACS Cent. Sci. 2019, 5, 1315. PubMed PMC

Zhang W., Zhang W., Li M., Chen A., Li L., Zhu Y., Xia Z., Lu P., Boullay Ph., Wu L., Zhu Y., MacManus‐Driscoll J. L., Jia Q., Zhou H., Narayan J., Zhang X., Wang H., ACS Appl. Mater. Interfaces 2016, 8, 16845. PubMed

Steciuk G., David A., Petr̆íc̆ek V., Palatinus L., Mercey B., Prellier W., Pautrat A., Boullay P., J. App. Crystallogr. 2019, 52, 626.

Passuti S., Varignon J., David A., Boullay Ph., Symmetry 2023, 15, 1459.

Brázda P., Klementová M., Krysiak Y., Palatinus L., IUCrJ 2022, 9, 735. PubMed PMC

Palatinus L., Petr̆íc̆ek V., Corrêa C. A., Acta Cryst. A 2015, 71, 235. PubMed

Kresse G., Hafner J., Phys. Rev. B 1993, 47, 558. PubMed

Kresse G., Furthmiller J., Comput. Mater. Sci. 1996, 6, 15.

Duradev S. L., Botton G. A., Savrasov S. Y., Humphreys C. J., Sutton A. P., Phys. Rev. B 1998, 57, 1505.

Blöchl P. E., Phys. Rev. B 1994, 50, 17953. PubMed

Martirosyan M., Gudima A., Varignon J., Ghanbaja J., Migot S., David A., Guennou M., Copie O., Phys. Rev. Materials 2025, 9, 074405.

Palatinus L., Brázda P., Jelínek M., Hrdá J., Steciuk G., Klementová M., Acta Cryst. B 2019, 75, 512. PubMed

Petr̆íc̆ek V., Palatinus L., Dušek J.Plášil, M., Z. Kristallogr. 2023, 238, 271.