• 文献标题:   The "Generalized Skettrup Model" and Lattice Thermal Capacity of Graphene, h-BN, MoS2, and WS(2)Flakes
  • 文献类型:   Article
  • 作  者:   LIGATCHEV V
  • 作者关键词:   harmonic, anharmonic, lattice, thermal, capacity, acoustic, phonon
  • 出版物名称:   ECS JOURNAL OF SOLID STATE SCIENCE TECHNOLOGY
  • ISSN:   2162-8769 EI 2162-8777
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1149/2162-8777/abba04
  • 出版年:   2020

▎ 摘  要

Temperature dependencies of both harmonic (including contributions from the "flexural" modes) and anharmonic components of theisobariclattice thermal capacity of square flakes of graphene, hexagonal boron nitride (h-BN) as well as of those of disulphides of molybdenum (MoS2) and tungsten (WS2) are simulated based on the many-body formalism denoted formerly as the "Generalized Skettrup Model" (GSM). This formalism (initially developed for the "first-principles" simulations on the essential features of electronic and optical bandtails of 3-dimensional (3D) polycrystalline and spatially non-homogeneous amorphous semi-conductors and insulators) had been refined herein for appropriate evaluations on the lattice thermal capacity of two-dimensional (2D) semiconductors. Obtained 2D GSM simulation results are discussed comparison with predictions of some other simulation approaches and results of appropriate experiments.