Abstract
We have studied spin-resolved correlations in the warm-dense homogeneous electron gas by determining the linear density and spin-density response functions, within the dynamical self-consistent mean-field theory of Singwi et al. The calculated spin-resolved pair-correlation function g σ σ′(r) is compared with the recent restricted path-integral Monte Carlo (RPIMC) simulations due to Brown et al. [Phys. Rev. Lett. 110, 146405 (2013)], while interaction energy E int and exchange-correlation free energy F xc with the RPIMC and very recent ab initio quantum Monte Carlo (QMC) simulations by Dornheim et al. [Phys. Rev. Lett. 117, 156403 (2016)]. g ↑↓(r) is found to be in good agreement with the RPIMC data, while a mismatch is seen in g ↑↑(r) at small r where it becomes somewhat negative. As an interesting result, it is deduced that a non-monotonic T-dependence of g(0) is driven primarily by g ↑↓(0). Our results of E int and F xc exhibit an excellent agreement with the QMC study due to Dornheim et al., which deals with the finite-size correction quite accurately. We observe, however, a visible deviation of E int from the RPIMC data for high densities (~8% at r s = 1). Further, we have extended our study to the fully spin-polarized phase. Again, with the exception of high density region, we find a good agreement of E int with the RPIMC data. This points to the need of settling the problem of finite-size correction in the spin-polarized phase also. Interestingly, we also find that the thermal effects tend to oppose spatial localization as well as spin polarization of electrons.
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References
M.D. Knudson, M.P. Desjarlais, R.W. Lemke, T.R. Mattsson, M. French, N. Nettelmann, R. Redmer, Phys. Rev. Lett. 108, 091102 (2012)
B. Militzer, W.B. Hubbard, J. Vorberger, I. Tamblyn, S.A. Bonev, J. Astrophys. 688, L45 (2008)
J.D. Lindl et al., Phys. Plasmas 11, 339 (2004)
S.X. Hu, B. Militzer, V.N. Goncharov, S. Skupsky, Phys. Rev. B 84, 224109 (2011)
O. Hurricane et al., Nature 506, 343 (2014)
E.W. Brown, B.K. Clark, J.L. DuBois, D.M. Ceperley, Phys. Rev. Lett. 110, 146405 (2013)
V.S. Filinov, V.E. Fortov, M. Bonitz, Z. Moldabekov, Phys. Rev. E 91, 033108 (2015)
T. Schoof, S. Groth, J. Vorberger, M. Bonitz, Phys. Rev. Lett. 115, 130402 (2015)
T. Dornheim, T. Schoof, S. Groth, A. Filinov, M. Bonitz, J. Chem. Phys. 143, 204101 (2015)
S. Groth, T. Schoof, T. Dornheim, M. Bonitz, Phys. Rev. B 93, 085102 (2016)
T. Dornheim, S. Groth, T. Schoof, C. Hann, M. Bonitz, Phys. Rev. B 93, 205134 (2016)
T. Dornheim, S. Groth, T. Sjostrom, F.D. Malone, W.M.C. Foulkes, M. Bonitz, Phys. Rev. Lett. 117, 156403 (2016)
V.V. Karasiev, T. Sjostrom, J. Dufty, S.B. Trickey, Phys. Rev. Lett. 112, 076403 (2014)
S. Tanaka, S. Ichimaru, J. Phys. Soc. Jpn 55, 2278 (1986)
H.K. Schweng, H.M. Böhm, Phys. Rev. B 48, 2037 (1993)
H.K. Schweng, H.M. Böhm, A. Schinner, W. Macke, Phys. Rev. B 44, 13291 (1991)
K.S. Singwi, M.P. Tosi, R.H. Land, A. Sjölander, Phys. Rev. 176, 589 (1968)
M. Takahashi, M. Imada, J. Phys. Soc. 53, 963 (1984)
M. Imada, M. Takahashi, J. Phys. Soc. 53, 3770 (1984)
T. Sjostrom, J. Dufty, Phys. Rev. B 88, 115123 (2013)
S. Dutta, J. Dufty, Europhys. Lett. 102, 67005 (2013)
htpp://github.com/3dheg/3DHEG, and private communication with E.W. Brown [6]
P.F. Maldague, Surf. Sci. 73, 296 (1978)
S. Misawa, Phys. Rev. 140, A1645 (1965)
A.K. Rajagopal, J.C. Kimball, Phys. Rev. B 15, 2819 (1977)
K. Kumar, V. Garg, R.K. Moudgil, Phys. Rev. B 79, 115304 (2009)
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Arora, P., Kumar, K. & Moudgil, R.K. Spin-resolved correlations in the warm-dense homogeneous electron gas. Eur. Phys. J. B 90, 76 (2017). https://doi.org/10.1140/epjb/e2017-70532-y
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DOI: https://doi.org/10.1140/epjb/e2017-70532-y