Theory of silicon nanostructures

被引：125
作者：
Zunger, A
Wang, LW
机构：
[1] National Renewable Energy Laboratory, Golden
来源：
APPLIED SURFACE SCIENCE | 1996年 / 102卷
关键词：
D O I：
10.1016/0169-4332(96)00078-5
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：
Empirical pseudopotential plane wave theory is used to study the electronic and optical properties of thousand atom hydrogen passivated Si quantum dots, wires and films. The properties studied include: (1) band gap vs. size; (2) band gap vs. shape; (3) total electronic density of state and optical absorption spectra: (4) dielectric constant vs. size. The results are compared with tight binding and other model calculations. Comparison with recent experimental data is discussed.
引用
收藏
页码：350 / 359
页数：10
相关论文
共 33 条
[1]   ELECTRONIC WAVE-FUNCTIONS IN SEMICONDUCTOR CLUSTERS - EXPERIMENT AND THEORY [J].
BRUS, L .
JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (12) :2555-2560
[2]  
Cohen M. L., 1988, Electronic Structure and Optical Properties of Semiconductors
[3]   QUANTUM CONFINEMENT IN SI NANOCRYSTALS [J].
DELLEY, B ;
STEIGMEIER, EF .
PHYSICAL REVIEW B, 1993, 47 (03) :1397-1400
[4]   SIZE DEPENDENCE OF BAND-GAPS IN SILICON NANOSTRUCTURES [J].
DELLEY, B ;
STEIGMEIER, EF .
APPLIED PHYSICS LETTERS, 1995, 67 (16) :2370-2372
[5]   QUANTUM SIZE EFFECTS ON THE OPTICAL BAND-GAP OF MICROCRYSTALLINE SI-H [J].
FURUKAWA, S ;
MIYASATO, T .
PHYSICAL REVIEW B, 1988, 38 (08) :5726-5729
[6]   SIZE DEPENDENCE OF EXCITONS IN SILICON NANOCRYSTALS [J].
HILL, NA ;
WHALEY, KB .
PHYSICAL REVIEW LETTERS, 1995, 75 (06) :1130-1133
[7]   ELECTRONIC-STRUCTURE AND OPTICAL-PROPERTIES OF HYDROGENATED SILICON CLUSTERS [J].
HIRAO, M ;
UDA, T .
SURFACE SCIENCE, 1994, 306 (1-2) :87-92
[8]  
HIRAO M, 1993, MAT RES S C, V283, P425
[9]  
KRISHNA MVR, 1991, PHYS REV LETT, V67, P629, DOI 10.1103/PhysRevLett.67.629
[10]   PREDICTION OF ANOMALOUS REDSHIFT IN SEMICONDUCTOR CLUSTERS [J].
KRISHNA, MVR ;
FRIESNER, RA .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (02) :873-877
1234