Ab initio and semiempirical dielectric response of superlattices -: art. no. 045301

被引:22
作者
Botti, S [1 ]
Vast, N
Reining, L
Olevano, V
Andreani, LC
机构
[1] Ecole Polytech, Solides Irradies Lab, CNRS, CEA, F-91128 Palaiseau, France
[2] Univ Pavia, Dipartimento Fis A Volta, INFM, I-27100 Pavia, Italy
关键词
D O I
10.1103/PhysRevB.70.045301
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present a study of the dielectric response of (GaAs)(p)/(AlAs)(p) (001) superlattices in a wide range of barrier and well widths. We applied density functional theory and a semiempirical method to obtain the superlattice band structures. These were then used as a starting point to evaluate the optical spectra and macroscopic dielectric constants using time-dependent density functional theory. In this context, we investigated the role of crystal local field effects in determining the anisotropy of the dielectric constants. Furthermore, we calculated absorption spectra including the strong continuum excitonic effect through the use of an appropriate model exchange-correlation kernel. We analyzed in detail the complementarity of the ab initio and semiempirical approaches and we compared the successes and limitations of the different approximation schemes.
引用
收藏
页码:045301 / 1
页数:13
相关论文
共 53 条
[1]   QUANTUM THEORY OF DIELECTRIC CONSTANT IN REAL SOLIDS [J].
ADLER, SL .
PHYSICAL REVIEW, 1962, 126 (02) :413-+
[2]   INTERBAND-TRANSITIONS IN ULTRATHIN GAAS-ALAS SUPERLATTICES [J].
ALOUANI, M ;
GOPALAN, S ;
GARRIGA, M ;
CHRISTENSEN, NE .
PHYSICAL REVIEW LETTERS, 1988, 61 (14) :1643-1646
[3]   ABINITIO CALCULATION OF THE MACROSCOPIC DIELECTRIC-CONSTANT IN SILICON [J].
BARONI, S ;
RESTA, R .
PHYSICAL REVIEW B, 1986, 33 (10) :7017-7021
[4]   PHONON-SPECTRA OF ULTRATHIN GAAS/ALAS SUPERLATTICES - AN ABINITIO CALCULATION [J].
BARONI, S ;
GIANNOZZI, P ;
MOLINARI, E .
PHYSICAL REVIEW B, 1990, 41 (06) :3870-3873
[5]   DIELECTRIC-CONSTANT OF A COMPOSITE-MATERIAL - PROBLEM IN CLASSICAL PHYSICS [J].
BERGMAN, DJ .
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 1978, 43 (09) :378-407
[6]   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
[7]   Ab initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices -: art. no. 216803 [J].
Botti, S ;
Vast, N ;
Reining, L ;
Olevano, V ;
Andreani, LC .
PHYSICAL REVIEW LETTERS, 2002, 89 (21)
[8]   Electronic states and optical properties of GaAs/AlAs and GaAs/vacuum superlattices by the linear combination of bulk bands method [J].
Botti, S ;
Andreani, LC .
PHYSICAL REVIEW B, 2001, 63 (23)
[9]   Intrinsic birefringence in calcium fluoride and barium fluoride [J].
Burnett, JH ;
Levine, ZH ;
Shirley, EL .
PHYSICAL REVIEW B, 2001, 64 (24)
[10]   SELF-CONSISTENT ENERGY-BANDS AND FORMATION ENERGY OF THE (GAAS)1(ALAS)1(001) SUPERLATTICE [J].
BYLANDER, DM ;
KLEINMAN, L .
PHYSICAL REVIEW B, 1986, 34 (08) :5280-5286