Harmonic and Anharmonic Lattice Thermal Capacities of Molecular Wires and 0001-Oriented Cylindrical ZnO Nano-Wires

,; Ligatchev, Valeri

doi:10.47363/jnsrr/2023(5)155

J NanoSci Res Rep

2023

DOI: 10.47363/jnsrr/2023(5)155

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Harmonic and Anharmonic Lattice Thermal Capacities of Molecular Wires and 0001-Oriented Cylindrical ZnO Nano-Wires

Valeri Ligatchev

Abstract: Unique characteristics of temperature-dependent isobaric thermal capacity, Cp (T), of ‘chain and layered structures’ attracted substantial scientific interest more than seven decades ago. In particular, the low-temperature

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2024

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On thermal stability of Fröhlich polarons in bulk and nano-structured polar solids I: Klemens channel formalism and two-phonon DOS

Ligatchev

2024

AIP Advances

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The “Klemens channel” formalism is commonly used in interpretations of experimental results on the lifetime of longitudinal optic (LO) phonons and Fröhlich polarons (FPs) in polar bulk, polycrystalline, and nanostructured solids. Here, in Paper I of this bipartite article, the two-particle vibrational DOS function(s) for spatially confined longitudinal acoustic and LO phonons is implemented at evaluation on FP decay probability via the “Klemens channel” and its lifetime for the case of FPs confined within InAs quantum dots. This approach yields a convincing elucidation of the earlier experimental data. An alternative model based on the idea of diabatic thermally activated excitation of FP charge carriers and consecutive lattice “depolarization” will be discussed in detail and implemented at simulations on FP lifetime in Paper II [V. Ligatchev, “On thermal stability of Fröhlich polarons in bulk and nano-structured polar solids II: Diabatic ionization and depolarization,” AIP Adv. 14, (2024)].

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On thermal stability of Fröhlich polarons in bulk and nano-structured polar solids I: Klemens channel formalism and two-phonon DOS

Ligatchev

2024

AIP Advances

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Harmonic and Anharmonic Lattice Thermal Capacities of Molecular Wires and 0001-Oriented Cylindrical ZnO Nano-Wires

Abstract: Unique characteristics of temperature-dependent isobaric thermal capacity, Cp (T), of ‘chain and layered structures’ attracted substantial scientific interest more than seven decades ago. In particular, the low-temperature

Cited by 1 publication

References 35 publications

On thermal stability of Fröhlich polarons in bulk and nano-structured polar solids I: Klemens channel formalism and two-phonon DOS

On thermal stability of Fröhlich polarons in bulk and nano-structured polar solids I: Klemens channel formalism and two-phonon DOS

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