Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals

Zhang, Jia; Qin, Rui; Zhu, Weiliang; Vorberger, Jan

doi:10.3390/ma15051902

Cited by 13 publications

(7 citation statements)

References 79 publications

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“…Note, λ represents the cumulative strength of the electron-phonon coupling in metals [47][48][49][50]. For the lowest electron temperature case (of 0.1 eV), our calculations of λ for all three metals match very well with prior first-principles-based calculations and experimental measurements [30,36,38,45,51]. At elevated electron temperatures, our calculations of λ for all three metals demonstrate drastically different trends; while electron-phonon coupling strength in gold decreases at higher electron temperatures, the values of λ remains relatively constant for silver, and increases by almost 50% at extremely high electron temperatures (of >4 eV) for copper.…”

Section: Resultssupporting

confidence: 75%

“…We create the elevated electron temperature conditions by smearing the Fermi-Dirac distributions with k B T e varying from 0.1 eV-5 eV. Note, this method to achieve elevated electron temperatures has been extensively used to predict the changes in electronic and phononic DOS in several prior firstprinciples calculations [31,33,34,[38][39][40][41][42][43]. In this approach, the finite temperatures enter through the Fermi-Dirac occupation function for electron Kohn-Sham eigenstates and through entropy term that is present in the free energy [44].…”

Section: Resultsmentioning

confidence: 99%

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Electron–electron scattering limits thermal conductivity of metals under extremely high electron temperatures

Karna,

Giri

2024

J. Phys.: Condens. Matter

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We report on the thermal transport properties of noble metals (gold, silver and copper) under conditionsof extremely high electron temperatures (that are on the order of the Fermi energy). We perform parameterfreedensity functional theory calculations of the electron temperature-dependent electron-phonon coupling,electronic heat capacities, and thermal conductivities to elucidate the strong role played by the excitation ofthe low lying d-bands on the transport properties of the noble metals. Our calculations show that, althoughthe three metals have similar electronic band structures, the changes in their electron-phonon coupling atelevated electron temperatures are drastically different; while electron-phonon coupling decreases in gold,it increases in copper and, it remains relatively unperturbed for silver with increasing electron temperaturesof up to ∼60,000 K (or 5 eV). We attribute this to the varying contributions from acoustic and longitudinalphonon modes to the electron-phonon coupling in the three metals. Although their electron-phononcoupling changes with electron temperature, the thermal conductivity trends with electron temperature aresimilar for all three metals. For instance, the thermal conductivities for all three metals reach their maximumvalues (on par with the room-temperature values of some of the most thermally conductive semiconductors)at electron temperatures of ∼6,000 K, and thereafter monotonically decrease due to the enhanced effect ofelectron-electron scattering for electronic states that are further away from the Fermi energy. As such, onlyaccounting for electron-phonon coupling and neglecting electron-electron scattering can lead to large overpredictionsof the thermal conductivities at extremely high electron temperatures. Our results shed lighton the microscopic understanding of the electronic scattering mechanisms and thermal transport in noblemetals under conditions of extremely high electron temperatures and, as such, are significant for a plethoraof applications such as in plasmonic devices that routinely leverage hot electron transport.

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Section: Resultssupporting

confidence: 75%

Section: Resultsmentioning

confidence: 99%

Electron–electron scattering limits thermal conductivity of metals under extremely high electron temperatures

Karna,

Giri

2024

J. Phys.: Condens. Matter

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“…Thus, these relations offer a way to extract important parameters, such as λ and ω 2 , from the available and future ARPES experiments. Furthermore, the factor λω 2 can also be measured from energy relaxation experiments [63].…”

Section: Methodsmentioning

confidence: 99%

Superconductivity and electron self-energy in tungsten-sulfur-hydride monolayer

Seeyangnok,

Ul Hassan,

Pinsook

et al. 2024

2D Mater.

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Hydrogen-rich structures have recently gained attention as a candidatefor room-temperature superconductors. Hydrogen has high phonon frequencies andcan be an ideal component for superconductors if it also exhibits strong electronphononcoupling. In bulk materials, this has been achieved only under very highpressure. Two-dimensional (2D) hydrogen-decorated materials can also be expectedto become superconductors. Recently, it was shown that a Janus MoSH monolayercan be synthesized [1], and a theoretical investigation of this MoSH monolayer claimedthat Tc = 28.58K at atmospheric pressure [2]. In this work, we propose that tungstensulfur hydride (WSH) is also a superconducting Janus monolayer. The Tc is carefullycalculated with very high resolution via the Eliashberg spectral function and theelectron self-energy. We find that WSH is a conventional BCS superconductor withTc = 12.2K at ambient pressure. For practical applications, sensitive dependenceon substrate is inferred. We also reported the electron self-energy of WSH, whichcan be compared directly with future measurements from angle-resolved photoelectronspectroscopy (ARPES).

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“…( 6) in Ref. [33]. Since this approximation assumes a nonzero DOS at the Fermi level N (ε F ), it can only be applied to metals.…”

Section: A Theory Of the Electron-phonon Couplingmentioning

confidence: 99%

Electron-phonon coupling in transition metals beyond Wang's approximation

Akhmetov,

Milov,

Makhotkin

et al. 2023

Phys. Rev. B

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The electron-phonon coupling is the primary mechanism responsible for material relaxation after ultrafast laser irradiation. However, it remains an elusive variable that is extremely challenging to extract experimentally, especially at high electron temperatures. Various previous theoretical approaches to determine electron-phonon coupling demonstrated large degree of inconsistency. In this paper, we present a first-principles framework for simulating the electron-phonon coupling parameter based on the electron-phonon spectral function, going beyond the approximation introduced by Wang et al. [Phys. Rev. B 50, 8016 (1994)]. Our simulations provide electron-temperature-dependent electron-phonon coupling values for transition metals Ru, Pd, and Au. Our findings reveal significant differences between the values obtained from the exact and approximated spectral functions, thus highlighting the limitations of Wang's approximation at elevated electron temperatures.

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Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals

Cited by 13 publications

References 79 publications

Electron–electron scattering limits thermal conductivity of metals under extremely high electron temperatures

Electron–electron scattering limits thermal conductivity of metals under extremely high electron temperatures

Superconductivity and electron self-energy in tungsten-sulfur-hydride monolayer

Electron-phonon coupling in transition metals beyond Wang's approximation

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