TY - JOUR
T1 - Correlation between Orbital Hybridizations, Phonon Spectra, and Thermal Properties of Graphene, Germanene, and Plumbene
AU - Dien, Vo Khuong
AU - Thi Han, Nguyen
AU - Bang-Li, Wei
AU - Lin, Kuang I.
AU - Lin, Ming Fa
N1 - Funding Information:
This work was financially supported by the Hierarchical Green‐Energy Materials (Hi‐GEM) Research Center from The Featured Areas Research Center Program within the framework of the Higher Education Sprout Project by the Ministry of Education (MOE) and the Ministry of Science and Technology (MOST 111‐2112‐M‐006‐020) in Taiwan.
Publisher Copyright:
© 2023 Wiley-VCH GmbH.
PY - 2023/5
Y1 - 2023/5
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85146699642&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85146699642&partnerID=8YFLogxK
U2 - 10.1002/pssr.202200469
DO - 10.1002/pssr.202200469
M3 - Article
AN - SCOPUS:85146699642
SN - 1862-6254
VL - 17
JO - Physica Status Solidi - Rapid Research Letters
JF - Physica Status Solidi - Rapid Research Letters
IS - 5
M1 - 2200469
ER -