2019Journal of the American Chemical SocietyRequires access

Abnormally Strong Electron–Phonon Scattering Induced Unprecedented Reduction in Lattice Thermal Conductivity of Two-Dimensional Nb 2 C

Yongda Huang, Jian Zhou, Guanjie Wang, Zhimei Sun

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Abstract

In most materials the electron–phonon (e-p) scattering is far weaker than phonon–phonon (p-p) scattering, and the e-p scattering is usually proportional to the e-p coupling strength. Here, we report strong e-p scattering but low e-p coupling strength in two-dimensional(2D) Nb 2 C by first-principles calculations. Moreover, the intensity of e-p scattering is close to that of p-p scattering at 300 K in sharp contrast to normal cases. This abnormal e-p scattering is understood by a specific feature that the energy difference between occupied and empty electron states near the Fermi level is in the order of the characteristic phonon energy. By calculating the phonon transport property of 2D Nb 2 C, we show that this strong e-p scattering can result in great reduction in the lattice thermal conductivity.Our work also highlights a new way for searching novel 2D materials with low lattice thermal conductivity.

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What this paper is about

In most materials the electron–phonon (e-p) scattering is far weaker than phonon–phonon (p-p) scattering, and the e-p scattering is usually proportional to the e-p coupling strength. Here, we report strong e-p scattering but low e-p coupling strength in two-dimensional(2D) Nb 2 C by first-principles calculations. Moreover, the intensity of e-p scattering is close to that of p-p scattering at 300 K in sharp contrast to normal cases. This abnormal e-p scattering is understood by a specific feature that the energy difference between occupied and empty electron states near the Fermi level is in the order of the characteristic phonon energy. By calculating the phonon transport property of 2D Nb 2 C, we show that this strong e-p scattering can result in great reduction in the lattice thermal conductivity.Our work also highlights a new way for searching novel 2D materials with low lattice thermal conductivity.

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Available abstract

In most materials the electron–phonon (e-p) scattering is far weaker than phonon–phonon (p-p) scattering, and the e-p scattering is usually proportional to the e-p coupling strength. Here, we report strong e-p scattering but low e-p coupling strength in two-dimensional(2D) Nb 2 C by first-principles calculations. Moreover, the intensity of e-p scattering is close to that of p-p scattering at 300 K in sharp contrast to normal cases. This abnormal e-p scattering is understood by a specific feature that the energy difference between occupied and empty electron states near the Fermi level is in the order of the characteristic phonon energy. By calculating the phonon transport property of 2D Nb 2 C, we show that this strong e-p scattering can result in great reduction in the lattice thermal conductivity.Our work also highlights a new way for searching novel 2D materials with low lattice thermal conductivity.

Key concepts: Scattering, Phonon scattering, Condensed matter physics, Phonon, Chemistry, Thermal conductivity, Lattice (music), Electron scattering

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