Calculation of the dielectric function of Li metal

Bross, H.; Ehrnsperger, M.

doi:10.1007/bf01317583

Cited by 13 publications

(9 citation statements)

References 19 publications

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“…The calculated dynamic structure factor does not exhibit unrealistic oscillations, which were found in previous work. 5 For wave vectors along the ͓110͔, ͓100͔, and ͓111͔ directions, the calculated energy-loss functions are in good agreement with available experimental data. We find that the dispersions of the plasmon mode and the zone-boundary collective state strongly depend on the direction of wave vector.…”

supporting

confidence: 80%

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Dynamic response function and energy-loss spectrum for Li using anN-point Padé approximant

Jin

Chang

1999

Phys. Rev. B

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We investigate the energy-loss spectrum of bcc Li through first-principles pseudopotential calculations. Using an N-point Padé approximant, we calculate the dielectric response function and produce the fine structure of the dynamic structure factor, in good agreement with available experimental data. The local-field and exchange-correlation effects are found to be significant in the particle-hole excitation region. The local-field effect gives rise to peaks in the energy-loss spectrum, which are associated with a plasmon-Fano resonance and zone-boundary collective states. ͓S0163-1829͑99͒01423-X͔

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supporting

confidence: 80%

“…A similar double-peak feature was also found for Al. 9 In previous work, 5 Bross and Ehrnsperger found unrealistic oscillations in the dynamic structure factor and suggested that these oscillations result from the use of a singleparticle approach. In our calculations, however, we do not find such oscillations.…”

mentioning

confidence: 99%

Dynamic response function and energy-loss spectrum for Li using anN-point Padé approximant

Jin

Chang

1999

Phys. Rev. B

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“…13 Even self-energy corrections do not yield this fine structure, when performed off-shell. 11 On the other hand, ab initio bandstructure calculations of S(q,) on Al, 14,15 Be, 16 and Li, 17 as well as empirical pseudopotential calculations on Al, 9 have reproduced most of the fine structure in agreement with experiment, in the case of Al even that type of fine structure which is more or less resistant against orientational averaging.…”

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confidence: 52%

Effect of thermal vibration and the solid-liquid phase transition on electron dynamics: An inelastic x-ray-scattering study on Al

1998

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Inelastic-x-ray-scattering measurements of the dynamic structure factor, S(q,), of electrons in Al both in the solid phase at rising temperatures and in the liquid are presented. The double-peak structure of S(q,) for qϾq c (q c ϭplasmon cutoff vector͒, diminishes gradually with decreasing strength of the ion-core potential; the peak position and the sloping plateau of the S(q,) spectra for qϾq c do not exhibit marked changes upon melting. The plasmon energy for qϽq c shifts according to the variation of the electron density upon heating and melting, and does not respond to the loss of long-range order. ͓S0163-1829͑98͒03201-9͔

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“…Indeed, it seems fair to state that the rather confusing history of various phenomenological "patch ups" of, for the most part, uncontrolled approximations for the manybody problem in jellium, hit a dead end some years ago. It is only recently that ab initio calculations -which in essence have the flavor of (i)-have begun to be reported [11][12][13][14];…”

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confidence: 99%

Dynamical response of correlated electrons in solids probed by inelastic scattering experiments: an ab initio theoretical perspective

Eguiluz

Sullivan

2000

Journal of Physics and Chemistry of Solids

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We present results of ab initio theoretical investigations of the excitation spectra of correlated electrons in metals (Al, K, and Li) and their interplay with inelastic scattering experiments. We resolve various anomalies contained in the data, which were originally viewed as signatures of strong dynamical electronic correlations; we show that, instead, the anomalies are due to band-structure effects. The underlying theoretical framework in our density-response calculations is time-dependent density-functional theory; with this scheme we discuss the lifetime of the K plasmon, and the dynamical structure factor of Al. From a selfconsistent solution of the Dyson equation in the GW approximation for the electron self-energy,

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Calculation of the dielectric function of Li metal

Cited by 13 publications

References 19 publications

Dynamic response function and energy-loss spectrum for Li using anN-point Padé approximant

Dynamic response function and energy-loss spectrum for Li using anN-point Padé approximant

Effect of thermal vibration and the solid-liquid phase transition on electron dynamics: An inelastic x-ray-scattering study on Al

Dynamical response of correlated electrons in solids probed by inelastic scattering experiments: an ab initio theoretical perspective

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