Page 53 - 2024F

46 UEC Int’l Mini-Conference No.53

Transport properties of Silicon carbide nanoribbons (SiCNRBs)
Muhammad HASSAN, Jun NAKAMURA
Department of Engineering Science,
The University of Electro-Communications, Tokyo

I. Abstract V. Results
We are interested in calculating the electron transport properties of
SiC nanoribbons. Density Functional Theory (DFT) with the combination of
Non-equilibrium Greens function approach will be used to investigate the
electronic and the transmission properties of SiCNRBs. Our objective is to
analyze the current voltage (I-V) characteristics at finite bias voltage, band
structure and the transmission spectra (conductance) in order to provide
insights into the transport mechanism that control SiCNRBs based devices.
SiCNRBs with zigzag edges terminated with hydrogen atoms will be used as a
simulation model in the calculation.
II. Introduction

Silicon carbide nanoribbons (SiCNRBs) have shown great promise as Figure 1. Band structure of 2D Silicon carbide( SiC)
materials for next-generation spintronic and nano-electronic devices because
of their mechanical resilience, high thermal stability, and tunable electronic
properties[1]. SiCNRBs, in contrast to graphene nanoribbons (GNRBs), have
a direct bandgap that can be adjusted by strain engineering, edge termination,
and functionalization, which makes them ideal for semiconductor applications *
[2].The electronic properties of SiCNRBs are strongly influenced by their π
edge structures and modifications. For the zigzag SiCNRBs, the direct band
gap decreases consecutively for the narrow width (N= 2, 3 and 4) and
becomes zero after N= 5. While for the armchair SiCNRBs except for (N= 3,
4, and 5), it shows constant band gap as the width increases [3]. Zigzag π
SiCNRs have the potential to be half-metallic, which makes them attractive
options for spintronic applications [1]. Although the structural and electronic
properties of ZSiCNRBs has been studied but the electron transport properties
has not been studied yet.
Figure 2(a): Band structure of non-magnetic 8-ZSiCNRBs

Cutting edges

2D SiC sheet 1D Zigzag SiC nanoribbons
(ZSiCNRs)

Semiconductiong Half-metallic.
III. Calculation Model Figure 2(b): Band structure of Anti-ferromagnetic 8-ZSiCNRBs

The below model consists of 9-unitcells of 8-ZSicNRBs terminated IV. Concluding Remarks
with hydrogen atoms. Two unit-cells made the semi-infinte left and right leads
while five for central finite region. We have calculated the band structure of spin polarized 8-
ZSicNRBs which is halfe metallic in nature. This makes the SiCNRBs as an
attractive option for spintronics applications Now we will calculate the
conductance of 8-ZSiCNRBs by applying the finte bias voltage across the
leads using calculation model as shown in calculation model.
Left lead Right lead
V. References
[1]: Sun, Lian, et al. "Electronic structures of SiC nanoribbons." The
Scattering region Journal of chemical physics 129.17 (2008).
[2]: He, Yanqiong, et al. "Adjusting the electronic properties of silicon
carbide nanoribbons by introducing edge functionalization." RSC
Advances 4.66 (2014): 35042-35047.
[3]: Zhang, Jian-Min, et al. "First-principles study on electronic properties of
IV. Computational Methods SiC nanoribbon." Journal of materials science 45 (2010): 3259-3265.
First-principles calculations based on Density Functional Theory with
Non-equilibrium Greens Function.
Code: Open MX
Exchange-correlation functional: LSDA-CA