Structural stability and electronic structures of InP nanowires: Role of surface dangling bonds on nanowire facets

被引：100

作者：

Akiyama, Toru ^{[1
]}

Nakamura, Kohji ^{[1
]}

Ito, Tomonori ^{[1
]}

机构：

[1] Mie Univ, Dept Engn Phys, Tsu, Mie 5148507, Japan

来源：

PHYSICAL REVIEW B | 2006年 / 73卷 / 23期

关键词：

D O I：

10.1103/PhysRevB.73.235308

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The structural stability and electronic properties of InP nanowires (NWs) are investigated based on first-principles pseudopotential calculations. In contrast to the bulk phase, zinc-blende (ZB) NWs are found to be less favorable over wurtzite (WZ) NWs, in which the surface dangling bonds (DBs) on the NW facets play a crucial role to stabilize the WZ structure. Our analysis of the NW cohesive energy based on the number of DBs also suggests the bistability forming both ZB and WZ NWs around 120 A diameter and the formation of rotational twin structures around 400 A diameter being consistent with experiments. Furthermore, the stable WZ NWs are found to be semiconducting whose characteristics are dependent on the surface DBs as well as the NW size and shape. The estimated oscillator strength also indicates the possibility of efficient light emission originating from the direct gap and geometrically restricted excitonic effects.

引用

页数：6

共 39 条

[1] InGaAs nano-pillar array formation on partially masked InP(III)B by selective area metal-organic vapour phase epitaxial growth for two-dimensional photonic crystal application [J].