Computer Simulation of the Electrotransport Characteristics of the “Au – Bipyridine – Au” Nanocontact
| Authors | D. Sergeyev1,2 |
| Affiliations |
1Zhubanov Aktobe Regional University, 34, Moldagulova Ave., 030000 Aktobe, Kazakhstan 2Begeldinov Military Institute of Air Defense Forces, 39, Moldagulova Ave., 030012 Aktobe, Kazakhstan |
| Е-mail | serdau@rambler.ru |
| Issue | Volume 11, Year 2019, Number 4 |
| Dates | Received 31 May 2019; revised manuscript received 02 August 2019; published online 22 August 2019 |
| Citation | D. Sergeyev, J. Nano- Electron. Phys. 11 No 4, 04023 (2019) |
| DOI | https://doi.org/10.21272/jnep.11(4).04023 |
| PACS Number(s) | 73.63. – b, 73.40. – c, 72.90. + y |
| Keywords | Electron transport, Nanocontact (2) , Bipyridine, Negative differential resistance, Current-voltage characteristic (12) . |
| Annotation |
In the framework of the density functional theory, using the method of non-equilibrium Green's functions (DFT + NEGF) and in the local density approximation, the electrotransport characteristics of the “Au – Bipyridine – Au” nanocontact were studied. The calculation is implemented in the program Atomistix ToolKit with Virtual NanoLab. The current-voltage, dI/dV characteristics, the transmission spectrum and the density of states of the nanocontact are calculated. It is shown that the transmission spectra of the nanocontact are reminiscent of the spectrum of resonant tunnel structures. A shift in transmission spectra was detected when a bias voltage was applied, which is explained by a voltage drop along the molecular transition. It is shown that DDOS at negative energy (– 6 ÷ – 1 eV) is significantly higher than at positive energy. In the bias voltage range – 3 ÷ – 0.5 V, a noticeable current oscillation is observed. It is shown that a multitude of areas with negative differential resistance, possibly due to resonant tunneling of quasi-particles, appear on the current-voltage characteristic of the nanosystem. The same changes are observed on the dI/dV-characteristic. The results obtained may be useful for calculating new promising electronic devices of molecular electronics. |
|
List of References |
Other articles from this number
1) X-ray Spectral Investigation of SiO2/TiO2/C Nanocomposites [04001-1-04001-4]2) The Structural Studies of Phase Transitions in the Graphite Intercalation Compounds with Iodine Chloride and Bromine [04002-1-04002-6]
3) Influence of Substrate Temperature on the Formation of Titanium Carbide Film [04003-1-04003-5]
4) Theoretical Analysis of Thermal Conductivity of Polymer Systems Filled with Carbon Nanotubes [04004-1-04004-6]
5) Electrical Characteristics of Au/n-GaN Schottky Junction with a High-k SrTiO3 Insulating Layer [04005-1-04005-5]
6) Nanoporous Structure of the Ammonium Nitrate Granules at the Final Drying: The Effect of the Dryer Operation Mode [04006-1-04006-4]
7) Magnetoresistance of GaP0.4As0.6 Whiskers in Vicinity of MIT [04007-1-04007-5]
8) Simulation of Guard Ring Type Effects on the Electrical Characteristics of n-on-p Planar Silicon Detectors [04008-1-04008-6]
9) Watershed Segmentation Image Processing Analysis of Zn0.97Fe0.03O Dilute Magnetic Semiconductor [04009-1-04009-3]
10) Microstructural Features and Tribological Behaviour of Low-Alloyed Steel Modified by High-Energy Plasma Pulse [04010-1-04010-5]
11) Design and Analysis of Ternary D-Latch Using CNTFETs [04011-1-04011-5]
12) Surface Nanostructure of Layers from Water Solutions after Sedimentation [04012-1-04012-6]
13) Solutions of Two-dimensional Schrodinger Equation in Symmetries of Extended Quantum Mechanics for the Modified Pseudoharmonic Potential: an Application to Some Diatomic Molecules [04013-1-04013-7]
14) Investigation of Localized Charges on Linearity and Distortion Performance of Ferroelectric Dual Material Gate All Around TFETs [04014-1-04014-6]
15) Band Gap Engineering in Spray Pyrolysis Grown Nanocrystalline NiO Thin Films by Fe Doping [04015-1-04015-6]
16) Single-walled Boron Nitride Pores as Media for Hydrogen Storage: DFT and IGM Study [04016-1-04016-7]
17) Synthesis and Characterization of Hybrid Chitosan/magnetite Nanocomposite Fluid [04017-1-04017-5]
18) New Multi-stages – Hydrogen Diffusion Model for Negative Bias Temperature Instability [04018-1-04018-6]
19) Nanostructured Coatings Based on Amorphous Carbon and Gold Nanoparticles Obtained by the Pulsed Vacuum-arc Method [04019-1-04019-7]
20) X-ray Analysis of NiCrxFe2 – xO4 Nanoparticles Using Debye- Scherrer, Williamson-Hall and Size-strain Plot Methods [04020-1-04020-8]
21) BSIM3v3 Characterization and Simulation of MOS Si1 – xGex Transistors with 130 nm Submicron Technology [04021-1-04021-6]
22) An Analogue Multiplier Using Carbon Nanotube Field-effect Transistor Technology [04022-1-04022-5]
23) Nonrelativistic Bound State Solutions of the Modified 2D-Killingbeck Potential Involving 2D-Killingbeck Potential and Some Central Terms for Hydrogenic Atoms and Quarkonium System [04024-1-04024-8]
24) Effect of the Temperature Change of Material Test Reactor on Calibration of Cluster Dynamics for Neutron Irradiation Pure Iron [04025-1-04025-4]
25) Elastic Properties of Au, Ag, and Core-shell Au@Ag Nanorods from Molecular Dynamics Simulations [04026-1-04026-5]
26) Nanopowder and Thin Films of ZnO by Sol Gel Approach [04027-1-04027-5]
27) The Effects of Al-doped ZnO (AZO) as Anti-reflection Agent for Dye Sensitized Solar Cells System [04028-1-04028-5]
28) Operating Temperature Effect on the Thin Film Solar Cell Efficiency [04029-1-04029-5]
29) Extraction of Diode’s Electrical Parameters under Forward and Room Temperature Conditions in an InAsSb Based Device [04030-1-04030-6]
30) Research of Photoluminescence Spectra of ZnSXSe1 – X:Mn Nanocrystals Obtained by Method of Self-propagating High-temperature Synthesis [04031-1-04031-5]
31) Nonlinearity of Diffusion Resistors at High-density Current [04032-1-0432-5]
32) Research of Heat Transfer Mechanisms in Glasses Using Modulation Polarimetry Technique [04033-1-04033-4]
33) Ab Initio Modeling of Boron Impurities Influence on the Electronic and Atomic Structure of Titanium Carbide [04034-1-04034-4]
34) Ferromagnetism of Iron-copper Nanocomposites [04035-1-04035-5]
35) Quantum Confinement Features in EPR and UV-vis Spectra of Al/Au Nanosystems [04036-1-04036-4]
36) Searching for Order Parameter of Low-temperature Phase Transitions in Divalent Nitrates [04037-1-04037-3]
