Surface acoustic waves and lattice vibrations in two-dimensional <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Ti</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">C</mml:mi><mml:mn>2</
We investigated surface acoustic wave (SAW) propagation and lattice vibrations in two-dimensional (2D) titanium carbide <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:mrow><a:mo>(</a:mo><a:msub><a:mi>Ti</a:mi><a:mn>3</a:mn></a:msub><a:msub><a:mi mathvariant="normal">C</a:mi><a:mn>2</a:mn></a:msub><a:msub><a:mi>T</a:mi><a:mi mathvariant="normal">x</a:mi></a:msub><a:mo>)</a:mo></a:mrow></a:math> MXene films as a function of surface termination and layer stacking, using atomistic simulations. We found that SAW propagation velocity is highly sensitive to both single-layer properties and interlayer bonding. Surface terminations significantly modulate wave behavior, with oxygen and fluorine terminations producing distinct effects on wave propagation, with oxygen-terminated monolayers exhibiting 20% higher wave speeds than fluorine counterparts due to strengthened intralayer bonds. Key observations include the transition from one to two layers causing wave speed variations, and the development of interlayer modes that generate more dispersed lattice vibrations. As the film layer thickness increases, SAW propagation becomes predominantly confined to the upper surface, with coherence of vibrational modes diminishing in multilayer structures. These findings suggest MXene terminations and layer stacking are crucial parameters for controlling SAW behavior, offering promising avenues for novel acoustic wave device applications.
Authors
- Ryan R. Wixom (ORCID: https://orcid.org/0000-0002-3083-2233)
- Rémi Dingreville
- Rajiv K. Kalia (ORCID: https://orcid.org/0000-0002-8835-5249)
- Parker K. Hamilton (ORCID: https://orcid.org/0000-0002-2032-0672)
Institutions
- University of Southern California (US)
- California Southern University (US)
- Sandia National Laboratories (US)
- Center for Integrated Nanotechnologies (US)
Publication Details
- Journal
- Physical review. B./Physical review. B
- Published
- 2025-06-02
- DOI
- https://doi.org/10.1103/physrevb.111.214103
- Citations
- 1
- Primary Topic
- MXene and MAX Phase Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.52
Funders
- National Science Foundation
- U.S. Department of Energy
- Center for Integrated Nanotechnologies
- Office of Science
- Sandia National Laboratories