Tuning the electronic and magnetic properties of zigzag silicene nanoribbons by 585 defects

2019 ◽  
Vol 383 (30) ◽  
pp. 125869 ◽  
Author(s):  
Haixia Dong ◽  
Dangqi Fang ◽  
Baihua Gong ◽  
Yang Zhang ◽  
Erhu Zhang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Silicene Nanoribbons

scholarly journals Dumbbell configuration of silicon adatom defects on silicene nanoribbons

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Huynh Anh Huy ◽  
Quoc Duy Ho ◽  
Truong Quoc Tuan ◽  
Ong Kim Le ◽  
Nguyen Le Hoai Phuong
Keyword(s):  
Magnetic Properties ◽  
Band Gap ◽  
Density Functional ◽  
Spin Moment ◽  
Hydrogen Atoms ◽  
Functional Theory ◽  
Electronic And Magnetic Properties ◽  
Spin Degeneracy ◽  
Silicene Nanoribbons ◽  
Formation Energies

AbstractUsing density functional theory (DFT), we performed theoretical investigation on structural, energetic, electronic, and magnetic properties of pure armchair silicene nanoribbons with edges terminated with hydrogen atoms (ASiNRs:H), and the absorptions of silicon (Si) atom(s) on the top of ASiNRs:H. The calculated results show that Si atoms prefer to adsorb on the top site of ASiNRs:H and form the single- and/or di-adatom defects depending on the numbers. Si absorption defect(s) change electronic and magnetic properties of ASiNRs:H. Depending on the adsorption site the band gap of ASiNRs:H can be larger or smaller. The largest band gap of 1 Si atom adsorption is 0.64 eV at site 3, the adsorption of 2 Si atoms has the largest band gap of 0.44 eV at site 1-D, while the adsorption at sites5 and 1-E turn into metallic. The formation energies of Si adsorption show that adatom defects in ASiNRs:H are more preferable than pure ASiNRs:H with silicon atom(s). 1 Si adsorption prefers to be added on the top site of a Si atom and form a single-adatom defect, while Si di-adatom defect has lower formation energy than the single-adatom and the most energetically favorable adsorption is at site 1-F. Si adsorption atoms break spin-degeneracy of ASiNRs:H lead to di-adatom defect at site 1-G has the highest spin moment. Our results suggest new ways to engineer the band gap and magnetic properties silicene materials.

ELECTRONIC AND MAGNETIC PROPERTIES OF SILICENE AND SILICANE NANORIBBONS

2013 ◽  
Vol 02 (02) ◽  
pp. 1350011 ◽  
Author(s):  
KAI LI ◽  
ANNA SHIN HWA LEE ◽  
YONG-WEI ZHANG ◽  
HUI PAN
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Magnetic Moments ◽  
Ground States ◽  
Band Gaps ◽  
Metastable States ◽  
First Principles Calculations ◽  
Ribbon Width ◽  
Electronic And Magnetic Properties ◽  
Silicene Nanoribbons

In this paper, first-principles calculations are carried out to study the electronic and magnetic properties of silicene and silicane nanoribbons, with and without H -passivation at the edges. We predict that the armchair nanoribbons are nonmagnetic and semiconducting. Interestingly, the band gaps of armchair silicene nanoribbons show oscillating behavior as the ribbon width increases. When their edges are passivated with H atoms, However, the oscillating phase is reversed. The zigzag nanoribbons are anti-ferromagnetic and semiconducting in their ground states, except that the zigzag silicane nanoribbons with edges passivated by H atoms are nonmagnetic. The zigzag silicane nanoribbons with bare edges show the highest magnetic moments in their ground states. The band gaps of zigzag nanoribbons in their ground states decrease with the increment of width. The metastable states of zigzag silicene nanoribbons are ferromagnetic and metallic. The zigzag silicane nanoribbons with bare edges are ferromagnetic and semiconducting in their metastable states. The silicene/silicane nanoribbons with attractive functions, which are achievable by edge engineering or external fields, may be applied to spintronic technologies and nanodevices.

Edge functionalization and doping effects on the stability, electronic and magnetic properties of silicene nanoribbons

RSC Advances ◽  
2016 ◽  
Vol 6 (21) ◽  
pp. 17046-17058 ◽  
Author(s):  
S. M. Aghaei ◽  
M. M. Monshi ◽  
I. Torres ◽  
I. Calizo
Keyword(s):  
Magnetic Properties ◽  
Fermi Level ◽  
Electronic And Magnetic Properties ◽  
Doping Effects ◽  
Spin Polarized ◽  
Silicene Nanoribbons ◽  
The Stability

A spectacular SGS character with 100% spin polarized currents around the Fermi level is found in z2–1 functionalized with Cl.

Electronic and magnetic properties of zigzag silicene nanoribbons with Stone–Wales defects

2015 ◽  
Vol 117 (6) ◽  
pp. 064307 ◽  
Author(s):  
Haixia Dong ◽  
Dangqi Fang ◽  
Baihua Gong ◽  
Yang Zhang ◽  
Erhu Zhang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Silicene Nanoribbons

Novel electronic and magnetic properties in N or B doped silicene nanoribbons

2013 ◽  
Vol 1 (15) ◽  
pp. 2735 ◽  
Author(s):  
Fu-bao Zheng ◽  
Chang-wen Zhang ◽  
Shi-shen Yan ◽  
Feng Li
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties ◽  
Silicene Nanoribbons

Modulating electronic and magnetic properties of zigzag MoSe2 nanoribbons with different edge structures

2019 ◽  
Vol 109 ◽  
pp. 93-100 ◽  
Author(s):  
Xu Zhao ◽  
Qingqing Yang ◽  
Hui Zhang ◽  
Yonghui Gao ◽  
Haiyang Wang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic And Magnetic Properties
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