scholarly journals Breaching the Axial Limits in Ln(III) Single-Ion Magnets Using External Electric Field

2020 ◽  
Author(s):  
Arup Sarkar ◽  
Rajaraman Gopalan
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Barrier Height ◽  
Electric Fields ◽  
Single Molecule ◽  
Information Storage ◽  
Fine Tuning ◽  
Ligand Field ◽  
Nano Technology ◽  
Technology Applications

<i>Single-Molecule Magnets have potential applications in several nano-technology applications including in high-dense information storage devices and realization of this potential application lies in enhancing the barrier height for magnetization reversal (U<sub>eff</sub>). Recent literature examples suggest that the maximum values that one can obtain using a ligand field are already accomplished. Here we have explored using a combination of DFT and ab initio CASSCF calculations, the way to enhance the barrier height using an oriented external electric field for top three Single-ion Magnets ([Dy(Py)<sub>5</sub>(O<sup>t</sup>Bu)<sub>2</sub>]<sup>+</sup> (<b>1</b>) and [Er{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>3</sub>Cl]<sup>-</sup> (<b>2</b>) and [Dy(Cp<sup>Me3</sup>)Cl] (<b>3</b>)). For the first time our study reveals that, for apt molecules, if appropriate direction and value of electric fields are chosen, the barrier height could be enhanced twice that of the limit set by the ligand field. This novel non-chemical-fine tuning approach to modulate the magnetic anisotropy is expected to yield new generation SIMs.</i>

scholarly journals Breaching the Axial Limits in Ln(III) Single-Ion Magnets Using External Electric Field

2020 ◽  
Author(s):  
Arup Sarkar ◽  
Rajaraman Gopalan
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Barrier Height ◽  
Electric Fields ◽  
Single Molecule ◽  
Information Storage ◽  
Fine Tuning ◽  
Ligand Field ◽  
Nano Technology ◽  
Technology Applications

<i>Single-Molecule Magnets have potential applications in several nano-technology applications including in high-dense information storage devices and realization of this potential application lies in enhancing the barrier height for magnetization reversal (U<sub>eff</sub>). Recent literature examples suggest that the maximum values that one can obtain using a ligand field are already accomplished. Here we have explored using a combination of DFT and ab initio CASSCF calculations, the way to enhance the barrier height using an oriented external electric field for top three Single-ion Magnets ([Dy(Py)<sub>5</sub>(O<sup>t</sup>Bu)<sub>2</sub>]<sup>+</sup> (<b>1</b>) and [Er{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>3</sub>Cl]<sup>-</sup> (<b>2</b>) and [Dy(Cp<sup>Me3</sup>)Cl] (<b>3</b>)). For the first time our study reveals that, for apt molecules, if appropriate direction and value of electric fields are chosen, the barrier height could be enhanced twice that of the limit set by the ligand field. This novel non-chemical-fine tuning approach to modulate the magnetic anisotropy is expected to yield new generation SIMs.</i>

scholarly journals Tuning Single-Molecule Conductance by Controlled Electric Field-Induced trans-to-cis Isomerisation

2021 ◽  
Vol 11 (8) ◽  
pp. 3317
Author(s):  
C.S. Quintans ◽  
Denis Andrienko ◽  
Katrin F. Domke ◽  
Daniel Aravena ◽  
Sangho Koo ◽  
...  
Keyword(s):  
Electric Field ◽  
Electric Fields ◽  
Single Molecule ◽  
Quantum Interference ◽  
Single Molecule Level ◽  
Wet Chemical Synthesis ◽  
Single Molecule Junctions ◽  
Tunnelling Microscopy ◽  
The Difference

External electric fields (EEFs) have proven to be very efficient in catalysing chemical reactions, even those inaccessible via wet-chemical synthesis. At the single-molecule level, oriented EEFs have been successfully used to promote in situ single-molecule reactions in the absence of chemical catalysts. Here, we elucidate the effect of an EEFs on the structure and conductance of a molecular junction. Employing scanning tunnelling microscopy break junction (STM-BJ) experiments, we form and electrically characterize single-molecule junctions of two tetramethyl carotene isomers. Two discrete conductance signatures show up more prominently at low and high applied voltages which are univocally ascribed to the trans and cis isomers of the carotenoid, respectively. The difference in conductance between both cis-/trans- isomers is in concordance with previous predictions considering π-quantum interference due to the presence of a single gauche defect in the trans isomer. Electronic structure calculations suggest that the electric field polarizes the molecule and mixes the excited states. The mixed states have a (spectroscopically) allowed transition and, therefore, can both promote the cis-isomerization of the molecule and participate in electron transport. Our work opens new routes for the in situ control of isomerisation reactions in single-molecule contacts.

scholarly journals Molecular Dynamics Simulations of Liquid-Liquid Interfaces in an Electric Field: the Water-1,2-Dichloroethane Interface

2020 ◽  
Author(s):  
Paolo Raiteri ◽  
Peter Kraus ◽  
Julian Gale
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
External Electric Field ◽  
Electric Fields ◽  
Liquid Interfaces ◽  
Ewald Summation ◽  
External Electric Fields ◽  
Simulation Cell ◽  
Dynamics Simulations

Molecular dynamics simulations of the liquid-liquid interface between water and 1,2-Dichloroethane in the presence of weak external electric fields.<div>The effect of the use of 3D periodic Ewald summation and the effect of the simulation setup are discussed.</div><div>A new simple geometric method for designing the simulation cell is proposed. This method was thoroughly tested shown that it mitigates any artefacts to the use of 3D Ewald summation with external electric field.</div>

Electric Field-induced switching among multiple conductance pathways in single-molecule junctions

2021 ◽  
Author(s):  
Tengyang Gao ◽  
Zhichao Pan ◽  
Zhuanyun Cai ◽  
Jueting Zheng ◽  
Chun Tang ◽  
...  
Keyword(s):  
Electric Field ◽  
Electric Fields ◽  
Single Molecule ◽  
Scanning Tunneling Microscope ◽  
Binding Sites ◽  
Scanning Tunneling ◽  
Tunneling Microscope ◽  
Field Increase ◽  
Electric Field Increase ◽  
Single Molecule Junctions

Here, we report the switching among multiple conductance pathways achieved by sliding the scanning tunneling microscope tip among different binding sites under different electric fields. With the electric field increase,...

scholarly journals The Adhesion of Ice Spheres in Electric Fields

1967 ◽  
Vol 6 (46) ◽  
pp. 505-514 ◽  
Author(s):  
J. Latham ◽  
C. P. R. Saunders
Keyword(s):  
Relative Humidity ◽  
Electric Field ◽  
External Electric Field ◽  
Electric Fields ◽  
Environmental Temperature ◽  
Ice Crystal ◽  
Electrostatic Forces ◽  
Rate Of Growth ◽  
Crystal Aggregation

AbstractThe forceFrequired to separate two ice spheres was measured as a function of environmental temperatureT, relative humidityHand the strengthEof the external electric field in which the spheres were situated. It was found that over the entire attainable range ofTandH,Fincreased rapidly with increasingE. The increased adhesion was not accompanied by an increase in the rate of growth of the ice bridge between the two spheres and is explicable in terms of Davis’s (1964) calculations of the purely electrostatic forces between two spheres situated in an electric field. The experiments indicate that the rate of growth of snowflakes in a cloud by means of ice crystal aggregation will be markedly enhanced if the cloud is highly electrified.

Technique for Reducing the Effects of Nonlinear Terms on Electric Field Measurements of Electric Field Sensor Arrays on Aircraft Platforms

2015 ◽  
Vol 32 (5) ◽  
pp. 993-1003 ◽  
Author(s):  
D. M. Mach
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Electric Fields ◽  
Sensor Arrays ◽  
Field Measurements ◽  
Nonlinear Effects ◽  
Electric Field Sensor ◽  
Cloud Properties ◽  
Field Sensor ◽  
Nonlinear Components

AbstractA generalized technique has been developed that reduces the contributions of nonlinear effects that occur during measurements of natural electric fields around thunderstorms by an array of field mills on an aircraft. The nonlinear effects can be due to nearby charge emitted by the aircraft as it acquires and sheds charge, but the nonlinear effects are not limited to such sources. The generalized technique uses the multiple independent measurements of the external electric field obtained during flight to determine and remove nonlinear contaminations in the external vector electric field. To demonstrate the technique, a simulated case with nonlinear contaminations was created and then corrected for the nonlinear components. In addition, data from two different field programs utilizing two different aircraft and field mill configurations, each containing observable and different nonlinear effects, were also corrected for the significant nonlinear effects found in the field mill outputs. The expanded independent measurements in this new technique allow for the determination and correction of components in the field mill outputs from almost any measurable source. Alternate utilization of the technique can include removing effects in the aircraft charging such as aircraft altitude, cloud properties, engine power settings, or aircraft flap deployment. This technique provides a way to make more precise measurements of the true external electric field for scientific studies of cloud electrification.

Molecular Electronics Including Temperature Effects Based on Dyes Pigments

2019 ◽  
Vol 19 (6) ◽  
pp. 3631-3636
Author(s):  
Adriana T Amador ◽  
Abel F. G Neto ◽  
Jorddy N Cruz ◽  
Fatima N. B Magno ◽  
Francisco C Marques ◽  
...  
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Molecular Electronics ◽  
Electric Fields ◽  
Density Functional ◽  
Functional Theory ◽  
Degradation Temperature ◽  
Red Color ◽  
The Density Functional Theory ◽  
Almost All

In this work we used the Density Functional Theory to study the thermodynamic properties from Brazilein (BZE) and Brazilin (BZI) molecules, main pigments responsible for the red color from Brazil wood. We did a comparison between the two dyes to then know which dye has better resistance to temperature (T ) and external electric field (E) values, aiming their potential to possible applications in solar cells, as excitons trainers. We have found that the BZE molecule becomes less stable after a temperature known as degradation temperature, and therefore enters oxidation state. However, BZE is more stable and more resistant to high temperatures. With respect to the applied external electric field, we find that BZE is more reactive to almost all the applied electric fields, thus more easily converted into energy in the form of electrical work.

scholarly journals External-Electric-Field-Enhanced Uniformity and Deposition Rate of a TiO2 Film Prepared by the Sparking Process

2018 ◽  
Vol 63 (6) ◽  
pp. 531 ◽  
Author(s):  
W. Thongpan ◽  
T. Kumpika ◽  
E. Kantarak ◽  
A. Panthawan ◽  
P. Pooseekheaw ◽  
...  
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Electric Fields ◽  
Deposition Rate ◽  
Tio2 Films ◽  
Dc Voltage ◽  
External Electric Fields ◽  
Deposited Film ◽  
Field Area ◽  
Scanning Electron

We have used an external electric field to increase both the uniformity and deposition rate of TiO2 films. The experiment is carried out by sparking-off titanium wires with a high dc voltage of 1 kV (field Eint = 10 kV/cm) and a limited current of 3 mA. The external electric fields (Eext) of 3, 6, and 9 kV/cm were applied to the sparking system for 1–5 hours. The as-deposited film morphology was characterized by scanning electron microscopy. The results clearly show that the films are only deposited on the external electric field area. Furthermore, the deposition rate of the films increased from 40.7% to 77.8% in the presence of the external electric field of 9 kV/cm. The effects of an external electric field on both the deposition rate and uniformity of films are investigated and described.

scholarly journals Molecular Dynamics Simulations of Liquid-Liquid Interfaces in an Electric Field: the Water-1,2-Dichloroethane Interface

2020 ◽  
Author(s):  
Paolo Raiteri ◽  
Peter Kraus ◽  
Julian Gale
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
External Electric Field ◽  
Electric Fields ◽  
Liquid Interfaces ◽  
Ewald Summation ◽  
External Electric Fields ◽  
Simulation Cell ◽  
Dynamics Simulations

Molecular dynamics simulations of the liquid-liquid interface between water and 1,2-Dichloroethane in the presence of weak external electric fields.<div>The effect of the use of 3D periodic Ewald summation and the effect of the simulation setup are discussed.</div><div>A new simple geometric method for designing the simulation cell is proposed. This method was thoroughly tested shown that it mitigates any artefacts to the use of 3D Ewald summation with external electric field.</div>

scholarly journals The optical tweezer of skyrmions

2020 ◽  
Vol 6 (1) ◽  
Author(s):  
Xi-Guang Wang ◽  
Levan Chotorlishvili ◽  
Vitalii K. Dugaev ◽  
Arthur Ernst ◽  
Igor V. Maznichenko ◽  
...  
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Electric Fields ◽  
Essential Role ◽  
Optical Tweezer ◽  
Magnetic Texture ◽  
Dm Interaction ◽  
Micromagnetic Simulations ◽  
Magnetic Structures ◽  
External Electric Fields

Abstract In a spin-driven multiferroic system, the magnetoelectric coupling has the form of effective dynamical Dzyaloshinskii–Moriya (DM) interaction. Experimentally, it is confirmed, for instance, for Cu2OSeO3, that the DM interaction has an essential role in the formation of skyrmions, which are topologically protected magnetic structures. Those skyrmions are very robust and can be manipulated through an electric field. The external electric field couples to the spin-driven ferroelectric polarization and the skyrmionic magnetic texture emerged due to the DM interaction. In this work, we demonstrate the effect of optical tweezing. For a particular configuration of the external electric fields it is possible to trap or release the skyrmions in a highly controlled manner. The functionality of the proposed tweezer is visualized by micromagnetic simulations and model analysis.

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