A 1ST-PRINCIPLES STUDY OF THE ELECTRONIC-PROPERTIES OF SILICON QUANTUM WIRES

被引：4

作者：

NEEDS, RJ ^{[1
]}

READ, AJ ^{[1
]}

NASH, KJ ^{[1
]}

BHATTARCHARJEE, S ^{[1
]}

OTEISH, A ^{[1
]}

CANHAM, LT ^{[1
]}

CALCOTT, PDJ ^{[1
]}

机构：

[1] DRA MALVERN,RSRE,MALVERN WR14 3PS,WORCS,ENGLAND

来源：

PHYSICA A | 1994年 / 207卷 / 1-3期

关键词：

D O I：

10.1016/0378-4371(94)90403-0

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We describe the results of first-principles pseudopotential calculations for H-terminated Si wires, with thicknesses up to 16 angstrom, which yield the band gaps, effective masses and optical matrix elements. The zero-phonon radiative lifetime for recombination of localised excitons in a 16 angstrom-wide wire is calculated to be 560 mus. This is in reasonable agreement with the value of 130 mus deduced from experiments on samples of porous Si. Comparison with effective-mass theory indicates that the latter is likely to be valid for wires wider than about 33 angstrom. Our results are consistent with a model in which the luminescent properties of porous Si are due to quantum-confined carriers in wire-like crystalline Si structures.

引用

页码：411 / 419

页数：9

共 27 条

[1] STRUCTURAL-ENERGY CALCULATIONS BASED ON NORM-CONSERVING PSEUDOPOTENTIALS AND LOCALIZED GAUSSIAN-ORBITALS [J].