Warm Dense Matter Demonstrating Non-Drude Conductivity from Observations of Nonlinear Plasmon Damping

Witte, B. B. L.; Fletcher, L. B.; Galtier, E.; Gamboa, E. J.; Lee, H. J.; Zastrau, U.; Redmer, R.; Glenzer, S. H.; Sperling, P.

doi:10.1103/physrevlett.118.225001

Cited by 86 publications

(83 citation statements)

References 76 publications

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“…[14] give two possible results for the isobaric conductivity of aluminum, with column 5 giving the experimental resistivity as a function of the nominal input enthalpy, i.e., "raw data". Column 4 gives the resistivity where in effect the input enthalpy has been corrected for volume expansion; this is not the isochoric resistivity of aluminum, as proposed by Sperling et al [26] and by Witte et al [31].…”

Section: Xc-functionals and The Al Conductivitymentioning

confidence: 96%

“…8 also that the DFT+MD simulations do not provide values for k smaller than ≈ 0.6/Å due to the finite size of the cell used in Ref. [31].…”

Section: The Kubo-greenwood Conductivitymentioning

confidence: 99%

“…[31] Witte et al strongly argue for the HSE functional even for aluminum, a 'simple' metal proven to work well with more standard approaches. The value of 2.23 ×10 6 S/m quoted by them at 0.3 eV, 2.7 g/cm 3 , is taken to agree with experiment, based on their interpretation of the experimental data of Gathers [14].…”

Section: The Kubo-greenwood Conductivitymentioning

confidence: 99%

“…10, together with a single data point from Witte et al [31] with the PBE functional, and with the HSE functional. The result obtained using the HSE XC-functional is a strong underestimate compared to other DFT+MD [60,61], the orbital-free calculation and the NPA estimates.…”

Section: The Kubo-greenwood Conductivitymentioning

confidence: 99%

“…Using a DFT+MD+KG approach, Witte et al [31] examined the σ for Al at ρ = 2.7 g/cm 3 and T = 0.3 eV computed with the exchange-correlation (XC) functionals of (i) Perdew, Burke, and Ernzerhof (PBE) [32] and (ii) Heyd, Scuseria, and Ernzerhof (HSE) [33]. Their results agree with those of Vlček et al [34] for the PBE functional; our DFT+MD calculations also agree well with those of Vlček et al as seen from the region (c) in Fig.…”

Section: Xc-functionals and The Al Conductivitymentioning

confidence: 99%

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Isochoric, isobaric, and ultrafast conductivities of aluminum, lithium, and carbon in the warm dense matter regime

et al. 2017

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We study the conductivities σ of (i) the equilibrium isochoric state (σis), (ii) the equilibrium isobaric state (σ ib ), and also the (iii) non-equilibrium ultrafast matter (UFM) state (σ uf ) with the ion temperature Ti less than the the electron temperature Te. Aluminum, lithium and carbon are considered, being increasingly complex warm dense matter (WDM) systems, with carbon having transient covalent bonds. First-principles calculations, i.e., neutral-pseudoatom (NPA) calculations and density-functional theory (DFT) with molecular-dynamics (MD) simulations, are compared where possible with experimental data to characterize σic, σ ib and σ uf . The NPA σ ib are closest to the available experimental data when compared to results from DFT+MD, where simulations of about 64-125 atoms are typically used. The published conductivities for Li are reviewed and the value at a temperature of 4.5 eV is examined using supporting X-ray Thomson scattering calculations. A physical picture of the variations of σ with temperature and density applicable to these materials is given. The insensitivity of σ to Te below 10 eV for carbon, compared to Al and Li, is clarified.

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Section: Xc-functionals and The Al Conductivitymentioning

confidence: 96%

“…8 also that the DFT+MD simulations do not provide values for k smaller than ≈ 0.6/Å due to the finite size of the cell used in Ref. [31].…”

Section: The Kubo-greenwood Conductivitymentioning

confidence: 99%

Section: The Kubo-greenwood Conductivitymentioning

confidence: 99%

Section: The Kubo-greenwood Conductivitymentioning

confidence: 99%

Section: Xc-functionals and The Al Conductivitymentioning

confidence: 99%

See 3 more Smart Citations

Isochoric, isobaric, and ultrafast conductivities of aluminum, lithium, and carbon in the warm dense matter regime

et al. 2017

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Ionization dynamics of dense matter generated by intense ultrashort X‐ray pulses

Shihab

Bornath

Redmer

2019

Contributions to Plasma Physics

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We investigate a pump‐probe X‐ray Thomson scattering (XRTS) experiment that might be carried out at a free electron laser facility to study warm‐to‐hot states of dense matter. Ultrashort and intense X‐ray pulses with different energies (1,560–1,830 eV) heat a 1 µm thick Al target isochorically and create homogeneous and uncompressed warm‐to‐hot states of dense matter. A second pulse with variable delay probes this heated state via XRTS. The X‐ray laser–target interaction is modelled within radiation‐hydrodynamic simulations applying the HELIOS‐CR code. The HELIOS‐CR results qualitatively agree with Monte‐Carlo simulations, where the laser pulse absorption is simulated based on a uniform random sequence of events. The electron feature in the simultaneously observed X‐ray scattering spectrum is a function of the degree of ionization and the target temperature. Therefore, the temporal evolution of the plasmon peak measures the ionization dynamics on ultra‐short time scales. The XRTS spectrum is calculated based on the Chihara formula utilizing the Born‐Mermin approximation for the free electron dynamic structure factor. The proposed experiment will reveal important details of the ionization dynamics on ultra‐short time scales as well as of the relaxation on ps time scales.

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Thermodynamics of the uniform electron gas: Fermionic path integral Monte Carlo simulations in the restricted grand canonical ensemble

Filinov

Levashov

Bönitz

2021

Contributions to Plasma Physics

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The uniform electron gas (UEG) is one of the key models for the understanding of warm dense matter—an exotic, highly compressed state of matter between solid and plasma phases. The difficulty in modelling the UEG arises from the need to simultaneously account for Coulomb correlations, quantum effects, and exchange effects, as well as finite temperature. The most accurate results so far were obtained from quantum Monte Carlo (QMC) simulations with a variety of representations. However, QMC for electrons is hampered by the fermion sign problem. Here, we present results from a novel fermionic propagator path integral Monte Carlo in the restricted grand canonical ensemble. The ab initio simulation results for the spin‐resolved pair distribution functions and static structure factor are reported for two isotherms θ=1,2 (T in the units of the Fermi temperature). Furthermore, we combine the results from the linear response theory in the Singwi‐Tosi‐Land‐Sjölander scheme with the QMC data to remove finite‐size errors in the interaction energy. We present a new corrected parametrization for the interaction energy vfalse(rs,θfalse) and the exchange–correlation free energy fnormalxcfalse(rs,θfalse) in the thermodynamic limit, and benchmark our results against the restricted path integral Monte Carlo by Brown et al. [Phys. Rev. Lett. 110, 146405 (2013)] and configuration path integral Monte Carlo/permutation‐blocking path integral Monte Carlo by Dornheim et al. [Phys. Rev. Lett. 117, 115701 (2016)].

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Warm Dense Matter Demonstrating Non-Drude Conductivity from Observations of Nonlinear Plasmon Damping

Cited by 86 publications

References 76 publications

Isochoric, isobaric, and ultrafast conductivities of aluminum, lithium, and carbon in the warm dense matter regime

Isochoric, isobaric, and ultrafast conductivities of aluminum, lithium, and carbon in the warm dense matter regime

Ionization dynamics of dense matter generated by intense ultrashort X‐ray pulses

Thermodynamics of the uniform electron gas: Fermionic path integral Monte Carlo simulations in the restricted grand canonical ensemble

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