Modeling the melting temperature of semiconductor nanocrystals

• Published in: Chemical physics letters Vol. 856; p. 141659
• Main Authors: Sheng, Hongchao, Xiao, Beibei, Jiang, Xiaobao
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.12.2024
• Subjects: Melting temperature; Nanocrystals; Semiconductor; Size effect; Thermodynamics; Thermodynamics; Melting temperature; Semiconductor; Nanocrystals; Size effect
• ISSN: 0009-2614
• DOI: 10.1016/j.cplett.2024.141659

[Display omitted] •The size dependence of melting temperature Tm(D) of semiconductor nanocrystals is modeled.•Tm(D) is decreased following the reduction of size D of semiconductor nanocrystals.•The ratio of solid/liquid interface energy to surface stress dominate the variation tendency of Tm(D). Exploring the thermal stability of semiconductor crystals at the nanoscale is of great significance for the design, fabrication, and application of modern quantum devices. In this paper, we propose a thermodynamic model to predict the melting temperature of semiconductor nanocrystals, which is in good agreement with the experimental results of Si, Bi, CdS, and CdSe. In addition, when the size decreases, the drop of melting temperature curves tends to be synchronized with the size-dependent solid/liquid interface energy and surface stress ratio γsl(D)/f(D), which reveals the physical origin of the decrease in the melting temperature of the semiconductor nanocrystals.