Tunable electronic properties of silicon nanowires under strain and electric bias

Nduwimana, Alexis; Wang, Xiaoqian

doi:10.1063/1.4890674

Cited by 7 publications

(3 citation statements)

References 28 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For the H–Si NWs system, the initial structure has a 1.18 eV direct band gap under PBE functional. Consistent with previous studies, ,, the band gap decreases with the increase of applied loading strain. Additionally, both the occupied and unoccupied bands near the X point shift upward.…”

Section: Resultssupporting

confidence: 91%

“…Thus, the ultralarge strain can enhance the size confinement and decrease the conductivity significantly. The strain induced changes in the band structure can be attributed to the overlapping of atomic orbitals. , As the applied strain increases along the strain direction, the distance between Si atomic layers increases and the overlapping magnitude decreases. The general character of the valence band and conduction band can be understood from band structure of bulk silicon.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

“Deep Ultra-Strength”-Induced Band Structure Evolution in Silicon Nanowires

et al. 2018

View full text Add to dashboard Cite

Recently we experimentally demonstrated that vapor−liquid−solid (VLS) grown silicon (Si) nanowires can be stretched to above 10% elastic strain through in situ nanomechanical strategies (Zhang et al. Sci. Adv. 2016, 2 (8), e1501382). Here, based on first-principles calculation, the geometric and electric properties of <110>-oriented Si nanowires with diameter ∼1.5 nm under ultralarge strain are comparatively investigated. The anisotropic Poisson effect was observed in the silicon nanowire that the change of diameter along the (100) orientation decreases dramatically while that along the (110) orientation shows only minor influence. For the purpose of obtaining a thorough understanding of the influence of applied strain on the electronic properties, the electronic band structure, effective mass of electron, and work function are systematically studied. Direct-to-indirect band gap transformation occurs for hydrogen terminated nanowires when the applied strain is larger than 4%. When the applied strain is more than 19% (may vary depending on different chemical modifications), the Si nanowires could even transform from semiconductor to metallic behavior, with no band gap! Our results show the possibility of tuning Si nanowires' electronic properties through mechanical straining, which may offer a new route in Si-based optoelectronics applications.

show abstract

Section: Resultssupporting

confidence: 91%

Section: Resultsmentioning

confidence: 99%

“Deep Ultra-Strength”-Induced Band Structure Evolution in Silicon Nanowires

et al. 2018

View full text Add to dashboard Cite

show abstract

“…Previous theoretical calculations focused on ZnSe/Si coaxial NWs [ 20 ] or pure Si NWs [ 21 , 22 , 23 ], while few talked about ZnSe/Si core-shell NWs. Therefore, in this paper, we present the electronic properties of ZnSe NWs, nanotubes (NTs) and ZnSe/Si core-shell NWs by means of the first principles calculation based on density functional theory (DFT) [ 24 , 25 ].…”

Section: Introductionmentioning

confidence: 99%

Tunable Band Gap and Conductivity Type of ZnSe/Si Core-Shell Nanowire Heterostructures

et al. 2014

View full text Add to dashboard Cite

The electronic properties of zincblende ZnSe/Si core-shell nanowires (NWs) with a diameter of 1.1–2.8 nm are calculated by means of the first principle calculation. Band gaps of both ZnSe-core/Si-shell and Si-core/ZnSe-shell NWs are much smaller than those of pure ZnSe or Si NWs. Band alignment analysis reveals that the small band gaps of ZnSe/Si core-shell NWs are caused by the interface state. Fixing the ZnSe core size and enlarging the Si shell would turn the NWs from intrinsic to p-type, then to metallic. However, Fixing the Si core and enlarging the ZnSe shell would not change the band gap significantly. The partial charge distribution diagram shows that the conduction band maximum (CBM) is confined in Si, while the valence band maximum (VBM) is mainly distributed around the interface. Our findings also show that the band gap and conductivity type of ZnSe/Si core-shell NWs can be tuned by the concentration and diameter of the core-shell material, respectively.

show abstract

Excited-State Properties of Thin Silicon Nanowires

Yang¹

2020

Handbook of Materials Modeling

View full text Add to dashboard Cite

Tunable electronic properties of silicon nanowires under strain and electric bias

Cited by 7 publications

References 28 publications

“Deep Ultra-Strength”-Induced Band Structure Evolution in Silicon Nanowires

“Deep Ultra-Strength”-Induced Band Structure Evolution in Silicon Nanowires

Tunable Band Gap and Conductivity Type of ZnSe/Si Core-Shell Nanowire Heterostructures

Excited-State Properties of Thin Silicon Nanowires

Contact Info

Product

Resources

About