scholarly journals Edge hydrogenation-induced spin-filtering and negative differential resistance effects in zigzag silicene nanoribbons with line defects

RSC Advances ◽  
2017 ◽  
Vol 7 (41) ◽  
pp. 25244-25252 ◽  
Author(s):  
Xiaoteng Li ◽  
Dongqing Zou ◽  
Bin Cui ◽  
Changfeng Fang ◽  
Jingfen Zhao ◽  
...  

We investigate the effects of line defects (558-defect and 57-defect) and edge hydrogenation (mono-hydrogenation and di-hydrogenation) on magnetism and spin transport of zigzag silicene nanoribbons (ZSiNRs) by first-principles calculations.

2014 ◽  
Vol 2 (32) ◽  
pp. 6648-6654 ◽  
Author(s):  
P. Zhao ◽  
Q. H. Wu ◽  
H. Y. Liu ◽  
D. S. Liu ◽  
G. Chen

The 4H-TAHDI-based spintronic device can exhibit perfect giant magnetoresistance, spin-filtering, bipolar spin-rectifying, and negative differential resistance effects simultaneously.


RSC Advances ◽  
2015 ◽  
Vol 5 (18) ◽  
pp. 13917-13922 ◽  
Author(s):  
Jian Shao ◽  
X. Y. Zhang ◽  
Yue Zheng ◽  
Biao Wang ◽  
Yun Chen

The transport properties of heterometallic n-alkanedithiol junctions were investigated via first-principles calculations.


2013 ◽  
Vol 27 (17) ◽  
pp. 1350081 ◽  
Author(s):  
Y. MIN ◽  
J. H. FANG ◽  
C. G. ZHONG ◽  
Z. C. DONG ◽  
C. P. CHEN ◽  
...  

The first-principles calculations of the transport characteristics of 4-(5-(2-(5-(4-mercaptophenyl)thiophene-2-yl)ethyl)pyridin-2-yl)benzenethiol sandwiched between two gold leads are performed. The effect of rectification and negative differential resistance (NDR) are obtained, which promise the potential applications in the field of molecular electronics. The rectification effect is 4.49. The peak/valley ratio of the NDR effect is as large as 4.51 for the forward bias and 12.09 for the reverse bias. The strong coupling between gold lead and molecule through thiolate results in the localization of the energy states of gold lead, which may induce the effect of rectification and NDR.


2014 ◽  
Vol 1015 ◽  
pp. 389-392
Author(s):  
Y.H. Zhou ◽  
L.L. Zhou ◽  
X.H. Qiu ◽  
Y.L. Peng

The transport properties of transition metal atoms interfered alpha-graphyne nanoribbon systems are investigated by first-principles calculations combined with the Keldysh nonequilibrium Green’s method. In all, five types of configurations are considered. We find that intervention of three Cr atom in alpha-graphyne nanoribbon systems decreases the conductivity of the system. Further study show that the magnetic direction of the electrode infulence the spin filtering effect greatly, while the ralative magnetic direction of the three transition Cr atoms have little effect on the transport properties. At finite bias window, negative differential resistance happens. Proper analysis are given to explain the spin filtering phenonmenon and the different transport properties via transmission coefficient and projected density of states.


2018 ◽  
Vol 20 (32) ◽  
pp. 21105-21112 ◽  
Author(s):  
Si-Cong Zhu ◽  
Shun-Jin Peng ◽  
Kai-Ming Wu ◽  
Cho-Tung Yip ◽  
Kai-Lun Yao ◽  
...  

We investigate the electronic and transport properties of vanadium-doped zigzag blue phosphorus nanoribbons by first-principles quantum transport calculations.


2018 ◽  
Vol 17 (06) ◽  
pp. 1850038 ◽  
Author(s):  
Jingjuan Yang ◽  
Xiaoxiao Han ◽  
Peipei Yuan ◽  
Baoan Bian ◽  
Bin Liao

We perform first-principles calculations to investigate the electronic transport properties of chalcone and flavanone molecules sandwiched between graphene electrodes. These two molecules can be reversibly converted between open and closed states induced by pH, and the significant switching behaviors are observed. The currents and switching ratios are influenced by rotating molecules around the [Formula: see text] axis, which are discussed by the transmission eigenstates, electrostatic potential distributions and transmission spectra. The observed negative differential resistance effect is explained in chalcone configuration. The results suggest that spatial distributions of molecules will influence the performance of devices, indicating a potential application in future molecular circuits.


2020 ◽  
Vol 15 (2) ◽  
pp. 269-275
Author(s):  
Wei-Chao Zhang ◽  
Wei-Feng Sun

The spin-resolved electronic transport behaviors of VSe2 nanoribbons are theoretically investigated to explore their applications in spintronic devices, employing by the first-principles calculations combined with nonequilibrium Green's function scheme. The band structure, current varying curves with bias voltage between nanoribbon terminal electrodes and electronic transmission spectra of two representative VSe2 nanoribbons along zigzag and armchair crystallographic orientations are calculated respectively. The evident negative differential resistance under the bias voltage of ∼0.6 V for the armchair orientation has been found, implying the significant crystal anisotropy of VSe2 monolayer. Meanwhile, both the VSe2 nanoribbon devices along zigzag and armchair directions represent favorable spin filtering effect, suggesting they are prospective candidates as a multifunction material in spintronic and digital applications.


RSC Advances ◽  
2017 ◽  
Vol 7 (54) ◽  
pp. 33733-33736
Author(s):  
G. W. Peng ◽  
L. Zhu ◽  
K. L. Yao

We have calculated the spin current based on the bias voltage, band structure and transmission spectrum for VS2 monolayers along the zigzag and armchair orientations by first-principles calculations combined with the non-equilibrium Green's function method.


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