Negative Differential Resistance Induced by Intermolecular Interaction in Molecular Device

2011 ◽  
Vol 181-182 ◽  
pp. 312-315
Author(s):  
Cai Juan Xia ◽  
Ying Tang Zhang ◽  
Xue Jun Zai
Keyword(s):  
Charge Transfer ◽  
Transport Properties ◽  
Molecular Complex ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Differential Resistance ◽  
First Principles Calculation ◽  
Molecular Device ◽  
Applied Bias ◽  
Donor Acceptor

Based on nonequilibrium Green’s function and first-principles calculation, we investigate the transport properties of the molecule device with a donor-acceptor molecular complex sandwiched between two electrodes. Numerical results show that a negative differential resistance under applied bias can be observed. The mechanism of negative differential resistance is mainly induced by the orbital match of molecule and electrodes as well as intermolecular charge transfer.

Effects of Different Metal-Molecule Interface Conformations on the Electronic Transport in Molecular Junctions

2010 ◽  
Vol 663-665 ◽  
pp. 588-591
Author(s):  
Cai Juan Xia ◽  
Ying Tang Zhang ◽  
Xue Jun Zai
Keyword(s):  
Electronic Transport ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Differential Resistance ◽  
Resonance Peak ◽  
First Principles Calculation ◽  
Break Junction ◽  
Bridge Site ◽  
Applied Bias ◽  
Adsorption Sites

Based on nonequilibrium Green’s function and first-principles calculation, we investigate the electronic transport of borazine molecule with different metal-molecule interface conformations, namely bridge and top site. The motivation is the variable situations that may arise in break junction experiments. Numerical results show that the current will be increased with the different adsorption sites; especially the enhancement of current is more obvious when molecule is located at the bridge site. Furthermore, a negative differential resistance under applied bias can be observed when the molecule is located at the top site. The mechanism of negative differential resistance is mainly induced by the resonance peak around the Fermi energy in top adsorption site.

First-principles study on the dielectric and transport properties of the LiNbO3-type CdPbO3

2017 ◽  
Vol 31 (05) ◽  
pp. 1750032
Author(s):  
Jing Zhang ◽  
San Huang Ke ◽  
Derwyn A. Rowlands
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Electronic Devices ◽  
Differential Resistance ◽  
Uniaxial Crystal ◽  
Dielectric Constants ◽  
First Principles Calculation ◽  
Electric Transport ◽  
Phonon Modes ◽  
Ir And Raman

Using first-principles calculation method, we have investigated the zone-center phonon modes, dielectric and transport properties of the LiNbO3-type CdPbO3. The results show that the relatively large peaks of infrared (IR) and Raman spectra mainly come from the [Formula: see text] and [Formula: see text] modes, respectively. The dielectric constant calculations reveal that this compound is positive uniaxial crystal and has the large dielectric constants. By investigating the electric transport properties using gold as electrode, the interesting negative differential resistance (NDR) effect can be observed, which reveals this compound should have important application in semiconducting electronic devices.

An Ab Initio Study on Negative Differential Resistance in Pyrrole Trimer Molecular Device

2010 ◽  
Vol 152-153 ◽  
pp. 931-934
Author(s):  
Cai Juan Xia ◽  
Han Chen Liu ◽  
Qiu Ping Wang
Keyword(s):  
Electronic Transport ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Density Functional ◽  
Differential Resistance ◽  
Resonance Peak ◽  
Molecular Device ◽  
Transmission Resonance ◽  
Functional Theory ◽  
Theoretical Results

The electronic transport properties of pyrrole trimer sandwiched between two electrodes are investigated by using nonequilibrium Green’s function formalism combined first-principles density functional theory. Theoretical results show that the system manifests negative differential resistance (NDR) behavior. A detailed analysis of the origin of negative differential resistance has been given by observing the shift in transmission resonance peak across the bias window with varying bias voltage.

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.

Negative differential resistance, perfect spin-filtering effect and tunnel magnetoresistance in vanadium-doped zigzag blue phosphorus nanoribbons

2018 ◽  
Vol 20 (32) ◽  
pp. 21105-21112 ◽  
Author(s):  
Si-Cong Zhu ◽  
Shun-Jin Peng ◽  
Kai-Ming Wu ◽  
Cho-Tung Yip ◽  
Kai-Lun Yao ◽  
...  
Keyword(s):  
Transport Properties ◽  
Quantum Transport ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Differential Resistance ◽  
Tunnel Magnetoresistance ◽  
Filtering Effect ◽  
Spin Filtering

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

A first-principles study of the spin transport properties of a 4H-TAHDI-based multifunctional spintronic device with graphene nanoribbon electrodes

2014 ◽  
Vol 2 (32) ◽  
pp. 6648-6654 ◽  
Author(s):  
P. Zhao ◽  
Q. H. Wu ◽  
H. Y. Liu ◽  
D. S. Liu ◽  
G. Chen
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Giant Magnetoresistance ◽  
Spin Transport ◽  
Differential Resistance ◽  
Graphene Nanoribbon ◽  
Spintronic Device ◽  
First Principles Study ◽  
Spin Filtering

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

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