Thermal conductivity of diamond nanowires from first principles

Li, Wu; Mingo, Natalio; Lindsay, Lucas; Broido, David; Stewart, Derek A.; Katcho, Nebil A.

doi:10.1103/physrevb.85.195436

Cited by 408 publications

(405 citation statements)

References 37 publications

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“…25 By RTA, we mean that we assume all scattering can be combined into a single frequency-dependent relaxation-time using Matthiessen's rule, ignoring that normal phonon/phonon scattering is not resistive in isolation from other scattering mechanisms 26 . Our RTA models compare favourably to first-principles calculations 20,27,28 , see Fig. 2 and Supplementary Fig.…”

Section: Resultsmentioning

confidence: 93%

Anisotropic failure of Fourier theory in time-domain thermoreflectance experiments

2014

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The applicability of Fourier's law to heat transfer problems relies on the assumption that heat carriers have mean free paths smaller than important length scales of the temperature profile. This assumption is not generally valid in nanoscale thermal transport problems where spacing between boundaries is small (o1 mm), and temperature gradients vary rapidly in space. Here we study the limits to Fourier theory for analysing three-dimensional heat transfer problems in systems with an interface. We characterize the relationship between the failure of Fourier theory, phonon mean free paths, important length scales of the temperature profile and interfacial-phonon scattering by time-domain thermoreflectance experiments on Si, Si 0.99 Ge 0.01 , boron-doped Si and MgO crystals. The failure of Fourier theory causes anisotropic thermal transport. In situations where Fourier theory fails, a simple radiative boundary condition on the heat diffusion equation cannot adequately describe interfacial thermal transport.

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Section: Resultsmentioning

confidence: 93%

Anisotropic failure of Fourier theory in time-domain thermoreflectance experiments

2014

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“…The lattice thermal conductivity of BP can be calculated by using phonon Boltzmann transport equation (BTE) with relaxation time approximation as implemented in the ShengBTE code [30,31,32]. In this approach, the thermal conductivity along the α direction can be calculated by: During the thermal conductivity calculations, the only inputs are the second order and third order force constant matrix, which can be extracted from the first-principles calculations.…”

Section: Boltzmann Transport Theory For Phononmentioning

confidence: 99%

High thermoelectric performance can be achieved in black phosphorus

et al. 2016

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Few-layer black phosphorus has recently emerged as a promising candidate for novel electronic and optoelectronic device. Here we demonstrate by first-principles calculations and Boltzmann theory that, black phosphorus could also have potential thermoelectric applications and a fair ZT value of 1.1 can be achieved at elevated temperature. Moreover, such value can be further increased to 5.4 by substituting P atom with Sb atom, giving nominal formula of P 0.75 Sb 0.25 . Our theoretical work suggests that high thermoelectric performance can be achieved without using complicated crystal structure or seeking for low-dimensional systems.

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“…All studies of the thermal conductivity accumulation function to date have used MFP as the independent variable of the accumulation, including both modeling 1,[10][11][12][13][14][15] and experiments. 2,[16][17][18][19] One approach to measuring the accumulation function is by varying the size of a small heat source, to restrict the range of phonons which can fully participate in the heat conduction.…”

Section: Introductionmentioning

confidence: 99%

Heating-frequency-dependent thermal conductivity: An analytical solution from diffusive to ballistic regime and its relevance to phonon scattering measurements

Yang

Dames

2015

Phys. Rev. B

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The heating frequency dependence of the apparent thermal conductivity in a semi-infinite body with periodic planar surface heating is explained by an analytical solution to the Boltzmann transport equation. This solution is obtained using a two-flux model and gray mean free time approximation, and verified numerically with a lattice Boltzmann method and numerical results from the literature. Extending the gray solution to the non-gray regime leads to an integral transform and accumulation-function representation of the phonon scattering spectrum, where the natural variable is mean free time, rather than mean free path as often used in previous work. The derivation leads to an approximate cutoff conduction similar in spirit to that of Koh and Cahill [Phys. Rev. B 76, 075207 (2007)] except that the most appropriate criterion involves the heater frequency rather than thermal diffusion length. The non-gray calculations are consistent with Koh and Cahill's experimental observation that the apparent thermal conductivity shows a stronger heater-frequency dependence in a SiGe alloy than in natural Si. Finally these results are demonstrated using a virtual experiment, which fits the phase lag between surface temperature and heat flux to obtain the apparent thermal conductivity and accumulation function.

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Thermal conductivity of diamond nanowires from first principles

Cited by 408 publications

References 37 publications

Anisotropic failure of Fourier theory in time-domain thermoreflectance experiments

Anisotropic failure of Fourier theory in time-domain thermoreflectance experiments

High thermoelectric performance can be achieved in black phosphorus

Heating-frequency-dependent thermal conductivity: An analytical solution from diffusive to ballistic regime and its relevance to phonon scattering measurements

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