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Title: Anisotropic thermal transport in bulk hexagonal boron nitride

Hexagonal boron nitride (h-BN) has received great interest in recent years as a wide band-gap analog of graphene-derived systems along with its potential in a wide range of applications, for example, as the dielectric layer for graphene devices. However, the thermal transport properties of h-BN, which can be critical for device reliability and functionality, are little studied both experimentally and theoretically. The primary challenge in the experimental measurements of the anisotropic thermal conductivity of h-BN is that typically the sample size of h-BN single crystals is too small for conventional measurement techniques, as state-of-the-art technologies synthesize h-BN single crystals with lateral sizes only up to 2.5 mm and thicknesses up to 200 μm. Recently developed time-domain thermoreflectance (TDTR) techniques are suitable to measure the anisotropic thermal conductivity of such small samples, as it only requires a small area of 50 × 50 μm 2 for the measurements. Accurate atomistic modeling of thermal transport in bulk h-BN is also challenging due to the highly anisotropic layered structure. Here we conduct an integrated experimental and theoretical study on the anisotropic thermal conductivity of bulk h-BN single crystals over the temperature range of 100–500 K using TDTR measurements with multiple modulation frequencies andmore » a full-scale numerical calculation of the phonon Boltzmann transport equation starting from first principles. Our experimental and numerical results compare favorably for both the in-plane and the through-plane thermal conductivities. We observe unusual temperature dependence and phonon-isotope scattering in the through-plane thermal conductivity of h-BN and elucidate their origins. Here, this article not only provides an important benchmark of the anisotropic thermal conductivity of h-BN, but also develops fundamental insight into the nature of phonon transport in this highly anisotropic layered material.« less
Authors:
 [1] ;  [1] ;  [1] ;  [2]
  1. Univ. of Colorado, Boulder, CO (United States). Dept. of Mechanical Engineering
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Publication Date:
Grant/Contract Number:
AC05-00OR22725; 1511195; AR0000743
Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 2; Journal Issue: 6; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1458358
Alternate Identifier(s):
OSTI ID: 1457208

Jiang, Puqing, Qian, Xin, Yang, Ronggui, and Lindsay, Lucas. Anisotropic thermal transport in bulk hexagonal boron nitride. United States: N. p., Web. doi:10.1103/PhysRevMaterials.2.064005.
Jiang, Puqing, Qian, Xin, Yang, Ronggui, & Lindsay, Lucas. Anisotropic thermal transport in bulk hexagonal boron nitride. United States. doi:10.1103/PhysRevMaterials.2.064005.
Jiang, Puqing, Qian, Xin, Yang, Ronggui, and Lindsay, Lucas. 2018. "Anisotropic thermal transport in bulk hexagonal boron nitride". United States. doi:10.1103/PhysRevMaterials.2.064005.
@article{osti_1458358,
title = {Anisotropic thermal transport in bulk hexagonal boron nitride},
author = {Jiang, Puqing and Qian, Xin and Yang, Ronggui and Lindsay, Lucas},
abstractNote = {Hexagonal boron nitride (h-BN) has received great interest in recent years as a wide band-gap analog of graphene-derived systems along with its potential in a wide range of applications, for example, as the dielectric layer for graphene devices. However, the thermal transport properties of h-BN, which can be critical for device reliability and functionality, are little studied both experimentally and theoretically. The primary challenge in the experimental measurements of the anisotropic thermal conductivity of h-BN is that typically the sample size of h-BN single crystals is too small for conventional measurement techniques, as state-of-the-art technologies synthesize h-BN single crystals with lateral sizes only up to 2.5 mm and thicknesses up to 200 μm. Recently developed time-domain thermoreflectance (TDTR) techniques are suitable to measure the anisotropic thermal conductivity of such small samples, as it only requires a small area of 50 × 50 μm2 for the measurements. Accurate atomistic modeling of thermal transport in bulk h-BN is also challenging due to the highly anisotropic layered structure. Here we conduct an integrated experimental and theoretical study on the anisotropic thermal conductivity of bulk h-BN single crystals over the temperature range of 100–500 K using TDTR measurements with multiple modulation frequencies and a full-scale numerical calculation of the phonon Boltzmann transport equation starting from first principles. Our experimental and numerical results compare favorably for both the in-plane and the through-plane thermal conductivities. We observe unusual temperature dependence and phonon-isotope scattering in the through-plane thermal conductivity of h-BN and elucidate their origins. Here, this article not only provides an important benchmark of the anisotropic thermal conductivity of h-BN, but also develops fundamental insight into the nature of phonon transport in this highly anisotropic layered material.},
doi = {10.1103/PhysRevMaterials.2.064005},
journal = {Physical Review Materials},
number = 6,
volume = 2,
place = {United States},
year = {2018},
month = {6}
}

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