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Study of the thermodynamic stability of the TaO/MgO interface

POSTER

Abstract

The research on TaO thin films in their cubic phase (FCC) has been scarce, as most studies are focused on other, more stable phases. However, as reported by Cho et al. (2023), the TaO FCC phase can form at interfaces under specific conditions determined by synthesis parameters. Additionally, Zhang et al. (2023) demonstrated that polycrystalline bulk TaO is a type II superconductor, with a critical temperature of Tc= 6.20K.

In this project we investigate the thermodynamic stability of the interface between a TaO thin film and a MgO (001) substrate, that exhibit an FCC crystalline structure. This study analyzes the surface and interface formation energies using density functional theory (DFT).

The preliminary results confirm the feasibility of synthesizing TaO thin films, paving the way for future experimental studies focused on the synthesis and characterization of this material.

Publication: Cho M. G., Kang U., Lim S. H., Han S. (2023). a-phase tantalum film deposition using bipolar high-power impulse magnetron<br>sputtering technique. Thin Solid Films 767, 139668. https://doi.org/10.1016/j.tsf.2022.139668.<br><br>Zhang Z., Wang Z., Dai X., Chen Y., Lai S., Qin F., Zhou X., Wu C., Wang H., Yang J., et al. (2023). Bulk superconductivity<br>in transition metal oxide tao. Physica C: Superconductivity and its Applications 608, 1354252. https://doi.org/10.1016/<br>j.physc.2023.1354252.

Presenters

  • Bianca S Zavalza

    Centro de Investigación Científica y de Educación Superior de Ensenada, Baja California

Authors

  • Bianca S Zavalza

    Centro de Investigación Científica y de Educación Superior de Ensenada, Baja California

  • Maria G Moreno

    Centro de Nanociencias y Nanotecnología UNAM (CNyN)

  • Rodrigo Ponce

    Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnología UNAM (CNyN)

  • Victor Quintanar

    Posgrado en Nanociencias, Centro de Investigación Científica y de Educación Superior de Ensenada, Baja California, Centro de Investigación Científica y de Educación Superior de Ensenada, Baja California

  • Jonathan Guerrero-Sanchez

    Centro de Nanociencias y Nanotecnologia (CNyN-UNAM), National Autonomous University of Mexico, Universidad Nacional Autonoma de Mexico UNAM, Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnología UNAM (CNyN), Virtual Materials Modeling Laboratory, Center for Nanoscience and Nanotechnology, Universidad Nacional Autónoma de México, Ensenada, Mexico

  • Jesús A Díaz

    Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnología UNAM (CNyN)