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Accurate Exploration of the Intrinsic Lattice Thermal Conductivity of Si 2 N 2 O by Combined Theoretical and Experimental Investigations
Author(s) -
Wan Peng,
Tian Zhilin,
Luo Yixiu,
Liu Bin,
Wang Jingyang
Publication year - 2016
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/jace.14050
Subject(s) - thermal conductivity , phonon , phonon scattering , ceramic , lattice (music) , condensed matter physics , materials science , scattering , crystallographic defect , thermodynamics , crystal structure , chemistry , crystallography , physics , optics , acoustics , composite material
Si 2 N 2 O is a promising ceramic with various structural and functional applications. Precisely exploring its thermal conductivity is crucially important to evaluate its thermal transport reliability as high‐temperature structural component and electronic device. In this paper, temperature‐dependent lattice thermal conductivity of Si 2 N 2 O is studied based on a method integrating density functional theory calculations and experimental measurements. The relationship between the complex crystal structure (or heterogeneous chemical bonding) and lattice thermal conductivity of Si 2 N 2 O is studied. We herein show that Si 2 N 2 O intrinsically has moderately high lattice thermal conductivity [30.9 W·(m·K) −1 at 373 K], but extrinsic phonon scattering mechanisms, such as phonon scattering by point defects and grain boundaries etc., might significantly degrade the magnitude in experimental measurement [15.0 W·(m·K) −1 at 373 K]. This work suggests the significance that understanding the intrinsic thermal conductivity, namely the upper limit value, is a precursor to deciphering the more complicated heat transport behavior of Si 2 N 2 O.