scholarly journals Исследования электрофизических свойств сегнетоэлектрических пленок Ba-=SUB=-0.8-=/SUB=-Sr-=SUB=-0.2-=/SUB=-TiO-=SUB=-3-=/SUB=- в параэлектрическом состоянии

2020 ◽  
Vol 62 (8) ◽  
pp. 1226
Author(s):  
Е.И. Гольдман ◽  
В.Г. Нарышкина ◽  
Г.В. Чучева
Keyword(s):  
High Frequency ◽  
Ferroelectric Phase ◽  
Ferroelectric Film ◽  
Energy Decomposition ◽  
Metal Structures ◽  
Free Energy Decomposition ◽  
Capacitance Voltage ◽  
Paraelectric State ◽  
Analytical Expressions ◽  
Substance Polarization

Abstract Phenomenological analytical expressions relating the ferroelectric film capacity to the coefficients of free energy decomposition in accordance to the degrees of substance polarization in paraelectric state are obtained. High-frequency capacitance-voltage characteristics of metal–Ba_0.8Sr_0.2TiO_3–metal structures have been measured at the temperatures above the transition point from ferroelectric phase to paraelectric one. The comparison of theoretical and experimental data has been resulted in plotting the dependences of Ba_0.8Sr_0.2TiO_3 film polarization on external voltage and determining the values of the parameters of the theory of phase transitions of second kind of Ginsburg–Landau for the objects under investigation.

scholarly journals Binding Mode Knowledge of New Possible Anti-Hypertensive Compounds Designed In Silico Using Neutral Endopeptidase (NEP) as a Target

2020 ◽  
Author(s):  
Emilio Lamazares ◽  
Yudith Cañizares-Carmenate ◽  
Juan A. Castillo-Garit ◽  
Karel Mena-Ulecia
Keyword(s):  
Arterial Hypertension ◽  
In Silico ◽  
Neutral Endopeptidase ◽  
Binding Mode ◽  
Dynamics Simulation ◽  
Energy Decomposition ◽  
Simulation Tools ◽  
Free Energy Decomposition ◽  
Key Enzyme ◽  
New Compounds

Arterial hypertension is a health problem that affects millions of people around the world. Particularly in Chile, according to the last health survey in 2019, 28.7% of the population had this condition, and arterial hypertension complications cause one in three deaths per year. In this work, we have used molecular simulation tools to evaluate new compounds designed in silico by our group as possible anti-hypertensive agents, taking Neutral Endopeptidase (NEP) as a target, a key enzyme in the arterial hypertension regulation at the level kidney. We use docking experiments, molecular dynamics simulation, free energy decomposition calculations (by MM-PBSA method), and ligand efficiency analysis to identify the best anti-hypertensive agent pharmacokinetic and toxicological predictions (ADME-Tox). The energetic components that contribute to the complexes stability are the electrostatic and Van der Waals components; however, when the ADME-Tox properties were analyzed, we conclude that the best anti-hypertensive candidate agents are Lig783 and Lig3444, taking Neutra Endopeptidase as a target.

scholarly journals Molecular-Theory of High Frequency Dielectric Susceptibility of Nematic Nanocomposites

Crystals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 970
Author(s):  
Mikhail A. Osipov ◽  
Alexey S. Merekalov ◽  
Alexander A. Ezhov
Keyword(s):  
Plasmon Resonance ◽  
High Frequency ◽  
Volume Fraction ◽  
Simple Expression ◽  
Dielectric Anisotropy ◽  
Dielectric Susceptibility ◽  
Nanoparticle Volume Fraction ◽  
Effective Polarizability ◽  
Dielectric And Optical Properties ◽  
Analytical Expressions

A molecular-statistical theory of the high frequency dielectric susceptibility of the nematic nanocomposites has been developed and approximate analytical expressions for the susceptibility have been obtained in terms of the effective polarizability of a nanoparticle in the nematic host, volume fraction of the nanoparticles and the susceptibility of the pure nematic phase. A simple expression for the split of the plasmon resonance of the nanoparticles in the nematic host has been obtained and it has been shown that in the resonance frequency range the high frequency dielectric anisotropy of the nanocomposite may be significantly larger than that of the pure nematic host. As a result, all dielectric and optical properties of the nanocomposite related to the anisotropy are significantly enhanced which may be important for emerging applications. The components of the dielectric susceptibility have been calculated numerically for particular nematic nanocomposites with gold and silver nanoparicles as functions of the nanoparticle volume fraction and frequency. The splitting of the plasmon resonance has been observed together with the significant dependence on the nanoparticle volume fraction and the parameters of the nematic host phase.

Low- and High-Frequency C–V Characteristics of Au/n-GaN/n-GaAs

2018 ◽  
Vol 18 (06) ◽  
pp. 1850039
Author(s):  
Abderrezzaq Ziane ◽  
Mohamed Amrani ◽  
Abdelaziz Rabehi ◽  
Zineb Benamara
Keyword(s):  
Schottky Diode ◽  
High Frequency ◽  
High Vacuum ◽  
Low Frequency ◽  
Interface State ◽  
Interface States ◽  
State Density ◽  
Ultra High Vacuum ◽  
Active Nitrogen ◽  
Capacitance Voltage

Au/GaN/GaAs Schottky diode created by the nitridation of n-GaAs substrate which was exposed to a flow of active nitrogen created by a discharge source with high voltage in ultra-high vacuum with two different thicknesses of GaN layers (0.7[Formula: see text]nm and 2.2[Formula: see text]nm), the I–V and capacitance–voltage (C–V) characteristics of the Au/n-GaN/n-GaAs structures were studied for low- and high-frequency at room temperature. The measurements of I–V of the Au/n-GaN/n-GaAs Schottky diode were found to be strongly dependent on bias voltage and nitridation process. The electrical parameters are bound by the thickness of the GaN layer. The capacitance curves depict a behavior indicating the presence of interface state density, especially in the low frequency. The interface states density was calculated using the high- and low-frequency capacitance curves and it has been shown that the interface states density decreases with increasing of nitridation of the GaAs.

scholarly journals Effect of double mutations T790M/L858R on conformation and drug-resistant mechanism of epidermal growth factor receptor explored by molecular dynamics simulations

RSC Advances ◽  
2018 ◽  
Vol 8 (70) ◽  
pp. 39797-39810 ◽  
Author(s):  
Fangfang Yan ◽  
Xinguo Liu ◽  
Shaolong Zhang ◽  
Jing Su ◽  
Qinggang Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Epidermal Growth Factor Receptor ◽  
Decomposition Method ◽  
Growth Factor Receptor ◽  
Drug Resistant ◽  
Energy Decomposition ◽  
Free Energy Decomposition ◽  
Epidermal Growth ◽  
Dynamics Simulations

The MM-GBSA method coupled with residue-based free energy decomposition method was performed to explore drug-resistant mechanisms of the mutated EGFR.

Characteristics of BST Capacitors with Aluminum Electrode and Iridium Oxide Barrier Layers

2007 ◽  
Vol 1034 ◽  
Author(s):  
Thottam Kalkur ◽  
Troung Troung
Keyword(s):  
High Frequency ◽  
Annealing Temperature ◽  
Series Resistance ◽  
Iridium Oxide ◽  
Aluminum Electrode ◽  
Barrier Layers ◽  
Post Annealing ◽  
Capacitance Voltage ◽  
Oxide Barrier ◽  
Al Metallization

AbstractThe high frequency operation of BST capacitors necessitates the development of low series resistance electrodes. As an alternative to platinum, DC magnetron sputtered IrO2/Aluminum top electrode metallization for BST capacitors has been proposed. The capacitance voltage characteristics of BST capacitors did not change significantly due to the deposition of aluminum on iridium oxide. Post annealing in nitrogen environment shows that IrO2/Al metallization does not degrade annealing temperature up to 450 oC.

Oxynitridation of silicon with nitrogen plasma for flash memory applications characterized by high frequency capacitance–voltage measurements

2001 ◽  
Vol 385 (1-2) ◽  
pp. 215-219 ◽  
Author(s):  
Akihiro Ikeda ◽  
M. Abd Elnaby ◽  
Tsuyoshi Fujimura ◽  
Reiji Hattori ◽  
Yukinori Kuroki
Keyword(s):  
Flash Memory ◽  
High Frequency ◽  
Nitrogen Plasma ◽  
Capacitance Voltage ◽  
Memory Applications
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