Ab initio calculation of the exchange-correlation kernel in extended systems -: art. no. 165108

被引:78
作者
Adragna, G
Del Sole, R
Marini, A
机构
[1] Univ Roma Tor Vergata, Ist Nazl Fis Mat, I-00133 Rome, Italy
[2] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy
[3] Univ Basque Country, Dept Fis Mat, E-20018 San Sebastian, Spain
[4] Donostia Int Phys Ctr, E-20018 San Sebastian, Spain
来源
PHYSICAL REVIEW B | 2003年 / 68卷 / 16期
关键词
D O I
10.1103/PhysRevB.68.165108
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We develop a method to calculate the polarizability of a many-electron system within Green's function theory in a similar way as within time-dependent density functional theory and apply it to Si and GaAs. The method joins the computational simplicity of the latter with the accuracy of the former approach. The resulting exchange-correlation many-body kernel f(xc)(FQP) and optical spectra are in good agreement with those obtained by the solution of the Bethe-Salpeter equation.
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页数:5
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共 33 条
[1]  
Adragna G., 2002, THESIS U ROMA TOR VE
[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]   The GW method [J].
Aryasetiawan, F ;
Gunnarsson, O .
REPORTS ON PROGRESS IN PHYSICS, 1998, 61 (03) :237-312
[4]   DIELECTRIC FUNCTIONS AND OPTICAL-PARAMETERS OF SI, GE, GAP, GAAS, GASB, INP, INAS, AND INSB FROM 1.5 TO 6.0 EV [J].
ASPNES, DE ;
STUDNA, AA .
PHYSICAL REVIEW B, 1983, 27 (02) :985-1009
[5]   CONSERVATION LAWS AND CORRELATION FUNCTIONS [J].
BAYM, G ;
KADANOFF, LP .
PHYSICAL REVIEW, 1961, 124 (02) :287-+
[6]   SELF-CONSISTENT APPROXIMATIONS IN MANY-BODY SYSTEMS [J].
BAYM, G .
PHYSICAL REVIEW, 1962, 127 (04) :1391-&
[7]   Compensation of dynamical quasiparticle and vertex corrections in optical spectra [J].
Bechstedt, F ;
Tenelsen, K ;
Adolph, B ;
DelSole, R .
PHYSICAL REVIEW LETTERS, 1997, 78 (08) :1528-1531
[8]   Theory of optical absorption in diamond, Si, Ge, and GaAs [J].
Benedict, LX ;
Shirley, EL ;
Bohn, RB .
PHYSICAL REVIEW B, 1998, 57 (16) :R9385-R9387
[9]   Long-range behavior and frequency dependence of exchange-correlation kernels in solids [J].
Del Sole, R ;
Adragna, G ;
Olevano, V ;
Reining, L .
PHYSICAL REVIEW B, 2003, 67 (04)
[10]   OPTICAL-PROPERTIES OF SEMICONDUCTORS WITHIN THE INDEPENDENT-QUASI-PARTICLE APPROXIMATION [J].
DELSOLE, R ;
GIRLANDA, R .
PHYSICAL REVIEW B, 1993, 48 (16) :11789-11795