Abstract
Many different forms of mechanical and structural deformations have been employed to alter the electronic structure of various modern two-dimensional (2D) nanomaterials. Given the recent interest in the new class of 2D nanomaterials-phosphorene, here we investigate how the rotational strain-dependent electronic properties of low-dimensional phosphorene may be exploited for technological gain. Here, using first-principles density-functional theory, we investigate the mechanical stability of twisted one-dimensional phosphorene nanoribbons (TPNR) by measuring their critical twist angle (θc) and shear modulus as a function of the applied mechanical torque. We find a strong anisotropic, chirality-dependent mechano-electronic response in the hydrogen-passivated TPNRs upon vortical deformation, resulting in a striking difference in the change in the carrier effective mass as a function of torque angle (and thus, the corresponding change in carrier mobility) between the zigzag and armchair directions in these TPNRs. The accompanied tunable band-gap energies for the hydrogen-passivated zigzag TPNRs may then be exploited for various key opto-electronic nanodevices.
| Original language | English |
|---|---|
| Pages (from-to) | 14778-14784 |
| Number of pages | 7 |
| Journal | Nanoscale |
| Volume | 8 |
| Issue number | 31 |
| DOIs | |
| Publication status | Published - 2016 Aug 21 |
Fingerprint
All Science Journal Classification (ASJC) codes
- Materials Science(all)
Cite this
}
Acute mechano-electronic responses in twisted phosphorene nanoribbons. / Jang, Woosun; Kang, Kisung; Soon, Aloysius.
In: Nanoscale, Vol. 8, No. 31, 21.08.2016, p. 14778-14784.Research output: Contribution to journal › Article
TY - JOUR
T1 - Acute mechano-electronic responses in twisted phosphorene nanoribbons
AU - Jang, Woosun
AU - Kang, Kisung
AU - Soon, Aloysius
PY - 2016/8/21
Y1 - 2016/8/21
N2 - Many different forms of mechanical and structural deformations have been employed to alter the electronic structure of various modern two-dimensional (2D) nanomaterials. Given the recent interest in the new class of 2D nanomaterials-phosphorene, here we investigate how the rotational strain-dependent electronic properties of low-dimensional phosphorene may be exploited for technological gain. Here, using first-principles density-functional theory, we investigate the mechanical stability of twisted one-dimensional phosphorene nanoribbons (TPNR) by measuring their critical twist angle (θc) and shear modulus as a function of the applied mechanical torque. We find a strong anisotropic, chirality-dependent mechano-electronic response in the hydrogen-passivated TPNRs upon vortical deformation, resulting in a striking difference in the change in the carrier effective mass as a function of torque angle (and thus, the corresponding change in carrier mobility) between the zigzag and armchair directions in these TPNRs. The accompanied tunable band-gap energies for the hydrogen-passivated zigzag TPNRs may then be exploited for various key opto-electronic nanodevices.
AB - Many different forms of mechanical and structural deformations have been employed to alter the electronic structure of various modern two-dimensional (2D) nanomaterials. Given the recent interest in the new class of 2D nanomaterials-phosphorene, here we investigate how the rotational strain-dependent electronic properties of low-dimensional phosphorene may be exploited for technological gain. Here, using first-principles density-functional theory, we investigate the mechanical stability of twisted one-dimensional phosphorene nanoribbons (TPNR) by measuring their critical twist angle (θc) and shear modulus as a function of the applied mechanical torque. We find a strong anisotropic, chirality-dependent mechano-electronic response in the hydrogen-passivated TPNRs upon vortical deformation, resulting in a striking difference in the change in the carrier effective mass as a function of torque angle (and thus, the corresponding change in carrier mobility) between the zigzag and armchair directions in these TPNRs. The accompanied tunable band-gap energies for the hydrogen-passivated zigzag TPNRs may then be exploited for various key opto-electronic nanodevices.
UR - http://www.scopus.com/inward/record.url?scp=84981534939&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84981534939&partnerID=8YFLogxK
U2 - 10.1039/c6nr04354b
DO - 10.1039/c6nr04354b
M3 - Article
AN - SCOPUS:84981534939
VL - 8
SP - 14778
EP - 14784
JO - Nanoscale
JF - Nanoscale
SN - 2040-3364
IS - 31
ER -