scholarly journals Negative differential resistance and spin filter effects in VS2 monolayers

RSC Advances ◽  
2017 ◽  
Vol 7 (54) ◽  
pp. 33733-33736
Author(s):  
G. W. Peng ◽  
L. Zhu ◽  
K. L. Yao
Keyword(s):  
Band Structure ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Function Method ◽  
Spin Current ◽  
Differential Resistance ◽  
First Principles Calculations ◽  
Spin Filter ◽  
Non Equilibrium Green’S Function ◽  
Filter Effects

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.

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 ◽  
...  
Keyword(s):  
First Principles ◽  
Negative Differential Resistance ◽  
Spin Transport ◽  
Differential Resistance ◽  
First Principles Calculations ◽  
Line Defects ◽  
Silicene Nanoribbons ◽  
Spin Filtering

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.

Length-dependent rectification and negative differential resistance in heterometallic n-alkanedithiol junctions

RSC Advances ◽  
2015 ◽  
Vol 5 (18) ◽  
pp. 13917-13922 ◽  
Author(s):  
Jian Shao ◽  
X. Y. Zhang ◽  
Yue Zheng ◽  
Biao Wang ◽  
Yun Chen
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Differential Resistance ◽  
First Principles Calculations

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

LOCALIZATION OF THE ENERGY STATES OF LEAD INDUCING THE EFFECT OF RECTIFICATION AND NEGATIVE DIFFERENTIAL RESISTANCE PREDICTED BY FIRST-PRINCIPLES STUDY

2013 ◽  
Vol 27 (17) ◽  
pp. 1350081 ◽  
Author(s):  
Y. MIN ◽  
J. H. FANG ◽  
C. G. ZHONG ◽  
Z. C. DONG ◽  
C. P. CHEN ◽  
...  
Keyword(s):  
Molecular Electronics ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Reverse Bias ◽  
Forward Bias ◽  
Differential Resistance ◽  
First Principles Calculations ◽  
Rectification Effect ◽  
Potential Applications ◽  
Energy States

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.

Rectification in zigzag graphene/BN nanoribbon heterojunction

2018 ◽  
Vol 32 (32) ◽  
pp. 1850395
Author(s):  
Baoan Bian ◽  
Jingjuan Yang ◽  
Xiaoxiao Han ◽  
Peipei Yuan ◽  
Yuqiang Ding
Keyword(s):  
Density Functional Theory ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Density Functional ◽  
Differential Resistance ◽  
Transmission Spectra ◽  
Density Of State ◽  
Functional Theory ◽  
Negative Differential Resistance Effect ◽  
Non Equilibrium Green’S Function

We investigate the effect of changed BN nanoribbon on the rectifying behavior in zigzag graphene/BN nanoribbon heterojunction using first principles based on non-equilibrium Green’s function and density functional theory. The increased BN length in the scattering region reduces the rectifying performance of the device, and the maximum rectifying ratio is [Formula: see text] in the heterojunction. We discuss the different rectifying characteristics for the designed models by calculating the transmission spectra at different biases. The rectifying phenomenon is further investigated by the projected density of state of device. Furthermore, we explain the observed negative differential resistance effect by the transmission spectra and transmission eigenstates. The results suggest that the zigzag graphene/BN nanoribbon heterojunction leads to the asymmetric current, causing the rectifying phenomenon, and the BN length in the scattering region can modulate the rectifying performance of zigzag graphene/BN nanoribbon heterojunction.

Influence of spatial distribution of molecule on the switching behavior: A first-principles study

2018 ◽  
Vol 17 (06) ◽  
pp. 1850038 ◽  
Author(s):  
Jingjuan Yang ◽  
Xiaoxiao Han ◽  
Peipei Yuan ◽  
Baoan Bian ◽  
Bin Liao
Keyword(s):  
Spatial Distribution ◽  
Electronic Transport ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Differential Resistance ◽  
Switching Behavior ◽  
Spatial Distributions ◽  
Transmission Spectra ◽  
First Principles Calculations ◽  
Negative Differential Resistance Effect

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.

Spintronic Transport Performances of VSe2 Nanoribbons

2020 ◽  
Vol 15 (2) ◽  
pp. 269-275
Author(s):  
Wei-Chao Zhang ◽  
Wei-Feng Sun
Keyword(s):  
Bias Voltage ◽  
Electronic Transport ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Differential Resistance ◽  
Transmission Spectra ◽  
First Principles Calculations ◽  
Spintronic Devices ◽  
Crystal Anisotropy ◽  
Filtering Effect

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.

Giant magnetoresistance and perfect spin filter effects in manganese phthalocyanine based molecular junctions

Nanoscale ◽  
2017 ◽  
Vol 9 (34) ◽  
pp. 12684-12689 ◽  
Author(s):  
L. L. Tao ◽  
J. Wang
Keyword(s):  
First Principles ◽  
Giant Magnetoresistance ◽  
Molecular Junctions ◽  
Molecular Junction ◽  
First Principles Calculations ◽  
Spin Filter ◽  
Magnetoresistance Effect ◽  
Filter Effects

The spin-filter transport and magnetoresistance effect in the manganese phthalocyanine based molecular junction are investigated by first-principles calculations.

scholarly journals Mechanical properties and band structure of CdSe and CdTe nanostructures at high pressure - a first-principles study

2019 ◽  
Vol 13 (2) ◽  
pp. 124-131 ◽  
Author(s):  
Natarajan Kishore ◽  
Veerappan Nagarajan ◽  
Ramanathan Chandiramouli
Keyword(s):  
Mechanical Properties ◽  
High Pressure ◽  
Shear Modulus ◽  
Band Structure ◽  
First Principles ◽  
Pressure Range ◽  
Uniaxial Pressure ◽  
First Principles Calculations ◽  
Zinc Blende ◽  
Cauchy Pressure

First-principles calculations for CdSe and CdTe nanostructures were carried out to study their mechanical properties and band structure under the uniaxial pressure range of 0 to 50GPa. It was presumed that the CdSe and CdTe nanostructures exist in the zinc-blende phase under high pressure. The mechanical properties, such as elastic constants, bulk modulus, shear modulus and Young?s modulus, were explored. Furthermore, Cauchy pressure, Poisson?s ratio and Pugh?s criterion were studied under high pressure for both CdSe and CdTe nanostructures, and the results show that they exhibit ductile property. The band structure studies of CdSe and CdTe were also investigated. The findings show that the mechanical properties and the band structures of CdSe and CdTe can be tailored with high pressure.

Sign in / Sign up

Export Citation Format

Share Document