A theory and mechanistic understanding of the thermal properties of solids under nanoscale confinement are currently missing. We develop a theoretical quantum confinement description of thin films which predicts a quantitative physical law for the heat capacity. In particular, due to the suppression of vibrational modes caused by the thin-film confinement, the vibrational density of states deviates from the Debye quadratic law in frequency and is, instead, cubic in frequency. This leads to a temperature dependence of the heat capacity which is - T 4 instead of Debye's - T 3 law. Furthermore, this theory predicts a linear increase of the heat capacity upon increasing the nanometric film thickness. Both dependencies are found in excellent agreement with recent experimental data on NbTiN thin films.

Quantum confinement theory of the heat capacity of thin films / A. Zaccone. - In: PHYSICAL REVIEW MATERIALS. - ISSN 2475-9953. - 8:5(2024 May 20), pp. 056001.1-056001.5. [10.1103/physrevmaterials.8.056001]

Quantum confinement theory of the heat capacity of thin films

A. Zaccone
2024

Abstract

A theory and mechanistic understanding of the thermal properties of solids under nanoscale confinement are currently missing. We develop a theoretical quantum confinement description of thin films which predicts a quantitative physical law for the heat capacity. In particular, due to the suppression of vibrational modes caused by the thin-film confinement, the vibrational density of states deviates from the Debye quadratic law in frequency and is, instead, cubic in frequency. This leads to a temperature dependence of the heat capacity which is - T 4 instead of Debye's - T 3 law. Furthermore, this theory predicts a linear increase of the heat capacity upon increasing the nanometric film thickness. Both dependencies are found in excellent agreement with recent experimental data on NbTiN thin films.
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English
Settore PHYS-04/A - Fisica teorica della materia, modelli, metodi matematici e applicazioni
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Esperti anonimi
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   Solving the multi-scale problem in materials mechanics: a pathway to chemical design (Multimech)
   Multimech
   EUROPEAN COMMISSION
   101043968
20-mag-2024
American Physical Society : American Institute of Physics
8
5
056001
1
5
5
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Periodico con rilevanza internazionale
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info:eu-repo/semantics/article
Quantum confinement theory of the heat capacity of thin films / A. Zaccone. - In: PHYSICAL REVIEW MATERIALS. - ISSN 2475-9953. - 8:5(2024 May 20), pp. 056001.1-056001.5. [10.1103/physrevmaterials.8.056001]
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262
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A. Zaccone
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/1107839
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