Excitonic and quasiparticle gaps in Si nanocrystals

被引:162
作者
Delerue, C [1 ]
Lannoo, M [1 ]
Allan, G [1 ]
机构
[1] Dept Inst Super Elect Nord, Inst Elect & Microelect Nord, F-59046 Lille, France
关键词
D O I
10.1103/PhysRevLett.84.2457
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present calculations of the one- and two-particle excitations in silicon nanocrystals. The one-particle properties are handled in the GW approximation, and the excitonic gap is obtained from the Bethe-Salpeter equation. We develop a tight binding version of these methods to treat clusters up to 275 atoms. The self-energy and Coulomb corrections almost exactly cancel each other for crystallites with radius larger than 0.6 nm. The result of this cancellation is that one-particle calculations give quite accurate values for the excitonic gap of crystallites in the most studied range of sizes.
引用
收藏
页码:2457 / 2460
页数:4
相关论文
共 23 条
[1]   Ab initio calculation of the quasiparticle spectrum and excitonic effects in Li2O [J].
Albrecht, S ;
Onida, G ;
Reining, L .
PHYSICAL REVIEW B, 1997, 55 (16) :10278-10281
[2]   ANALYTICAL TREATMENT OF BAND-GAP UNDERESTIMATES IN THE LOCAL-DENSITY APPROXIMATION [J].
BECHSTEDT, F ;
DELSOLE, R .
PHYSICAL REVIEW B, 1988, 38 (11) :7710-7716
[3]   Calculations of the electron-energy-loss spectra of silicon nanostructures and porous silicon [J].
Delerue, C ;
Lannoo, M ;
Allan, G .
PHYSICAL REVIEW B, 1997, 56 (23) :15306-15313
[4]   QUANTUM CONFINEMENT IN SI NANOCRYSTALS [J].
DELLEY, B ;
STEIGMEIER, EF .
PHYSICAL REVIEW B, 1993, 47 (03) :1397-1400
[5]   Comment on "Quantum confinement and optical gaps in Si nanocrystals" [J].
Franceshetti, A ;
Wang, LW ;
Zunger, A .
PHYSICAL REVIEW LETTERS, 1999, 83 (06) :1269-1269
[6]   Density-relaxation part of the self-energy [J].
Godby, RW ;
White, ID .
PHYSICAL REVIEW LETTERS, 1998, 80 (14) :3161-3161
[7]   SELF-ENERGY OPERATORS AND EXCHANGE-CORRELATION POTENTIALS IN SEMICONDUCTORS [J].
GODBY, RW ;
SCHLUTER, M ;
SHAM, LJ .
PHYSICAL REVIEW B, 1988, 37 (17) :10159-10175
[8]   QUASIPARTICLE ENERGIES IN SEMICONDUCTORS - SELF-ENERGY CORRECTION TO THE LOCAL-DENSITY APPROXIMATION [J].
GYGI, F ;
BALDERESCHI, A .
PHYSICAL REVIEW LETTERS, 1989, 62 (18) :2160-2163
[9]  
Hedin L., 1969, Solid State Physics, Advanced in Research and Applications, V23, DOI DOI 10.1016/S0081-1947(08)60615-3
[10]   1ST-PRINCIPLES THEORY OF QUASIPARTICLES - CALCULATION OF BAND-GAPS IN SEMICONDUCTORS AND INSULATORS [J].
HYBERTSEN, MS ;
LOUIE, SG .
PHYSICAL REVIEW LETTERS, 1985, 55 (13) :1418-1421