Crystals with alternating atomic layers display surface termination dependent properties
Crystals composed of alternating atomic layers exhibit properties that depend heavily on their surface termination, as demonstrated across multiple material systems where different terminating facets dictate interface stability, electronic structure, and behavior.
The retrieved literature repeatedly confirms that for layered crystals (such as perovskites and MAX phases) with alternating atomic planes, the choice or manipulation of surface termination directly governs interfacial properties, thermodynamic stability, and electronic band alignments. Therefore, the claim is well-supported by the provided papers.
Davidson BA, Yu Petrov A, Li F, Pons R, Sosa-Lizama P, Shin H, Liu C, Parisse P, Torelli P, Cristiani G, Suyolcu YE, van Aken PA, Logvenov G, Kim G, Xi X, Benckiser E, Zou K. A universal method for in situ control of stoichiometry and termination of epitaxial perovskite films.. 2025. https://doi.org/10.1038/s41467-025-63608-7
Demonstrates that in transition-metal perovskite oxides, the strategic tuning of surface termination during alternating layer growth produces consistent behavior in diffraction curves.
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Wang X, Li W, Peng Z, Yang X, Wang M. First-Principles Investigation of Interfacial Bonding, Stability, and Electronic Properties at the Fe(111)/Ti<sub>3</sub>SiC<sub>2</sub>(0001) Interface.. 2026. https://doi.org/10.3390/nano16110647
Shows that different terminations (such as C-terminated versus metal-terminated interfaces) significantly alter the thermodynamic stability, work of adhesion, and electronic properties of layered materials.
Palummo M, Borghesi C, Muraoka A, Shaban S, Hayase S, Varsano D, Yamashita K, Giorgi G. Protective Role of Oxides on Pb-Free Halide Perovskite Surfaces: Interfacial Effects and Excitonic Optical Properties from First-Principles.. 2026. https://doi.org/10.1021/acsami.6c00873
Indicates that distinct atomic terminations (such as CsI- versus MI2-facets) directly dictate structural rearrangements and band edge alignment at perovskite interfaces.
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