Revealing quasi-excitations in the low-density homogeneous electron gas with model exchange-correlation kernels

被引:2
作者
Kaplan, Aaron D. [1 ]
Ruzsinszky, Adrienn [2 ]
机构
[1] Lawrence Berkeley Natl Lab, Mat Project, Berkeley, CA 94720 USA
[2] Tulane Univ, Dept Phys & Engn Phys, New Orleans, LA 70118 USA
关键词
EXCITONIC COLLECTIVE MODE; DIELECTRIC FORMULATION; FUNCTIONAL THEORY; OPTICAL-SPECTRA; ENERGIES; BEHAVIOR;
D O I
10.1063/5.0174165
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Time-dependent density functional theory within the linear response regime provides a solid mathematical framework to capture excitations. The accuracy of the theory, however, largely depends on the approximations for the exchange-correlation (xc) kernels. Away from the long-wavelength (or q = 0 short wave-vector) and zero-frequency (omega = 0) limit, the correlation contribution to the kernel becomes more relevant and dominant over exchange. The dielectric function, in principle, can encompass xc effects relevant to describe low-density physics. Furthermore, besides collective plasmon excitations, the dielectric function can reveal collective electron-hole excitations, often dubbed "ghost excitons." Besides collective excitons, the physics of the low-density regime is rich, as exemplified by a static charge-density wave that was recently found for r(s) > 69, and was shown to be associated with softening of the plasmon mode. These excitations are seen to be present in much higher density 2D homogeneous electron gases of r(s) greater than or similar to 4. In this work, we perform a thorough analysis with xc model kernels for excitations of various nature. The uniform electron gas, as a useful model of real metallic systems, is used as a platform for our analysis. We highlight the relevance of exact constraints as we display and explain screening and excitations in the low-density region.
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页数:12
相关论文
共 64 条
[1]  
A. Kaplan, 2023, heg_screening_models
[2]   Ab initio calculation of excitonic effects in the optical spectra of semiconductors [J].
Albrecht, S ;
Reining, L ;
Del Sole, R ;
Onida, G .
PHYSICAL REVIEW LETTERS, 1998, 80 (20) :4510-4513
[3]   Correlation energy and spin polarization in the 2D electron gas (vol 88, art no 256601, 2002) [J].
Attaccalite, C ;
Moroni, S ;
Gori-Giorgi, P ;
Bachelet, GB .
PHYSICAL REVIEW LETTERS, 2003, 91 (10)
[4]   Correlation energy and spin polarization in the 2D electron gas [J].
Attaccalite, C ;
Moroni, S ;
Gori-Giorgi, P ;
Bachelet, GB .
PHYSICAL REVIEW LETTERS, 2002, 88 (25) :2566011-2566014
[5]  
Bassani F., 1975, Electronic States and Optical Transitions in Solid
[6]  
Bechstedt F., 2016, Many-Body Approach to Electronic Excitations, DOI DOI 10.1007/978-3-662-44593-8
[7]   Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory [J].
Botti, S ;
Sottile, F ;
Vast, N ;
Olevano, V ;
Reining, L ;
Weissker, HC ;
Rubio, A ;
Onida, G ;
Del Sole, R ;
Godby, RW .
PHYSICAL REVIEW B, 2004, 69 (15) :155112-1
[8]   Time-dependent density-functional theory for extended systems [J].
Botti, Silvana ;
Schindlmayr, Arno ;
Del Sole, Rodolfo ;
Reining, Lucia .
REPORTS ON PROGRESS IN PHYSICS, 2007, 70 (03) :357-407
[9]   Simple dynamic exchange-correlation kernel of a uniform electron gas [J].
Constantin, Lucian A. ;
Pitarke, J. M. .
PHYSICAL REVIEW B, 2007, 75 (24)
[10]   Elasticity of an electron liquid [J].
Conti, S ;
Vignale, G .
PHYSICAL REVIEW B, 1999, 60 (11) :7966-7980