A Comparative Study on Phonon Spectrum and Thermal Properties of Graphene, Silicene and Phosphorene: Recent Advances and Development

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A Comparative Study on Phonon Spectrum and Thermal Properties of Graphene, Silicene and Phosphorene: Recent Advances and Development

June 4, 2021 Chemical Science 0

We examine the vibrational and thermal properties of two-dimensional honeycomb lattices of graphene, silicene, and black phosphorene using first-principle calculations utilising density functional theory. We concentrate on the similarities and contrasts in their qualities, attempting to deduce their meaning from their lattice structures. We show that in silicene and black phosphorene, a phonon band gap forms, effectively reducing phonon thermal conductivity. Positive frequencies are present in all three systems (graphene, silicene, and black phosphorene), ensuring structural stability. We also discovered that at very low temperatures, specific heat, entropy, and free energy for all systems grow fast, but specific heat (Cv) remains constant at higher temperatures.

Author (s) Details

Arun Kumar
Department of Physics, Swami Vivekanand Government College Ghumarwin, Bilaspur, H. P., 174021, India.

Anjna Devi
Department of Physics, Swami Vivekanand Government College Ghumarwin, Bilaspur, H. P., 174021, India and Department of Physics, Himachal Pradesh University, Shimla, H. P., 171005, India.

Amarjeet Singh
Department of Physics, Himachal Pradesh University, Shimla, H. P., 171005, India.

P. K. Ahluwalia
Department of Physics, Himachal Pradesh University, Shimla, H. P., 171005, India.

View Book :- https://stm.bookpi.org/CPCS-V10/article/view/1228

 

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