Abstract
We present new scaling laws that govern coupled mechanical deformation and opto-electronic properties (band gap) of quantum dots. Our theoretical work on quantum dots, confirmed via electronic structure calculation based on density functional theory indicates that novel size effects in band gap (above and beyond the well studied quantum confinement, electrostatic interaction and mechanical strain coupling) become operative in the 1-5 nm size range. These new coupled size-effects illustrated for Silicon clusters arise out of the size-dependency of the mechanical strain which has traditionally been ignored and devoid in classical continuum field theories (and what is typically employed by most current studies of strain-quantum dot coupling). The surface energies which induce the aforementioned size-effect are themselves found to be size-dependent for extremely small cluster size and peak within a very narrow cluster size range (0.6-2 nm).
| Original language | English (US) |
|---|---|
| Pages (from-to) | 469-472 |
| Number of pages | 4 |
| Journal | Journal of Computational and Theoretical Nanoscience |
| Volume | 2 |
| Issue number | 3 |
| DOIs | |
| State | Published - Sep 2005 |
| Externally published | Yes |
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Keywords
- Quantum dots
- Scaling laws
- Size-effect
- Strain
- Surface energy
ASJC Scopus subject areas
- Electrical and Electronic Engineering
- Electronic, Optical and Magnetic Materials
- Computational Theory and Mathematics
Cite this
Novel scaling laws for band gaps of quantum dots. / Peng, Xihong; Ganti, Surya; Sharma, Pradeep; Alizadeh, Azar; Nayak, Saroj; Kumar, Sanat.
In: Journal of Computational and Theoretical Nanoscience, Vol. 2, No. 3, 09.2005, p. 469-472.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Novel scaling laws for band gaps of quantum dots
AU - Peng, Xihong
AU - Ganti, Surya
AU - Sharma, Pradeep
AU - Alizadeh, Azar
AU - Nayak, Saroj
AU - Kumar, Sanat
PY - 2005/9
Y1 - 2005/9
N2 - We present new scaling laws that govern coupled mechanical deformation and opto-electronic properties (band gap) of quantum dots. Our theoretical work on quantum dots, confirmed via electronic structure calculation based on density functional theory indicates that novel size effects in band gap (above and beyond the well studied quantum confinement, electrostatic interaction and mechanical strain coupling) become operative in the 1-5 nm size range. These new coupled size-effects illustrated for Silicon clusters arise out of the size-dependency of the mechanical strain which has traditionally been ignored and devoid in classical continuum field theories (and what is typically employed by most current studies of strain-quantum dot coupling). The surface energies which induce the aforementioned size-effect are themselves found to be size-dependent for extremely small cluster size and peak within a very narrow cluster size range (0.6-2 nm).
AB - We present new scaling laws that govern coupled mechanical deformation and opto-electronic properties (band gap) of quantum dots. Our theoretical work on quantum dots, confirmed via electronic structure calculation based on density functional theory indicates that novel size effects in band gap (above and beyond the well studied quantum confinement, electrostatic interaction and mechanical strain coupling) become operative in the 1-5 nm size range. These new coupled size-effects illustrated for Silicon clusters arise out of the size-dependency of the mechanical strain which has traditionally been ignored and devoid in classical continuum field theories (and what is typically employed by most current studies of strain-quantum dot coupling). The surface energies which induce the aforementioned size-effect are themselves found to be size-dependent for extremely small cluster size and peak within a very narrow cluster size range (0.6-2 nm).
KW - Quantum dots
KW - Scaling laws
KW - Size-effect
KW - Strain
KW - Surface energy
UR - http://www.scopus.com/inward/record.url?scp=27644591658&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=27644591658&partnerID=8YFLogxK
U2 - 10.1166/jctn.2005.202
DO - 10.1166/jctn.2005.202
M3 - Article
VL - 2
SP - 469
EP - 472
JO - Journal of Computational and Theoretical Nanoscience
JF - Journal of Computational and Theoretical Nanoscience
SN - 1546-1955
IS - 3
ER -