• 文献标题:   Correlation between Orbital Hybridizations, Phonon Spectra, and Thermal Properties of Graphene, Germanene, and Plumbene
  • 文献类型:   Article
  • 作  者:   DIEN VK, HAN NT, BANGLI W, LIN KI, LIN MF
  • 作者关键词:   group iv monolayer, orbital hybridization, phonon branchdependent heat capacity, phonon gap
  • 出版物名称:   PHYSICA STATUS SOLIDIRAPID RESEARCH LETTERS
  • ISSN:   1862-6254 EI 1862-6270
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1002/pssr.202200469 EA JAN 2023
  • 出版年:   2023

▎ 摘  要

Based on first-principles calculations within the harmonic approximation, the phonon properties and specific heat capacities of 2D honeycomb lattices are investigated. Graphene, germanene, and plumbene manifest interesting phonon properties. The similarities and differences in their nature, for example, the total phonon bandwidth, low-frequency phonon dispersion, and phonon bandgap mostly arise from the significant orbital interactions. These features are reflected in the phonon branch-dependent specific heat capacity. The information obtained in this work about the relative contributions of distinct phonons to different temperature ranges is crucial for energy storage and heat management applications.