scholarly journals Simulation of structural and electrical parameters of СdS thin films

2021 ◽  
Vol 22 (4) ◽  
pp. 781-785
Author(s):  
O.M. Chernikova ◽  
H.D. Mateik ◽  
Y.V. Ogorodnik
Keyword(s):  
Thin Films ◽  
Catalytic Activity ◽  
Electron Energy ◽  
Oxygen Concentration ◽  
First Principles ◽  
Valence Electron ◽  
Energy Spectra ◽  
Electrical Parameters ◽  
Electron Densities ◽  
Cds Film

Based on the calculations from the first principles, we obtained the distributions of valence electron densities and electron energy spectra for a CdS film with different oxygen concentrations. According to the results of calculations, it is established that during the adsorption of oxygen atoms on the surface of CdS, oxygen taking electrons from the surface atoms of the CdS film, increases its catalytic activity. The oxygen concentration should not exceed 12.5%.

scholarly journals Influence atoms of Co, Ni, Cu on the catalytic activity of small Pt clasters: First principles calculations

2020 ◽  
Vol 21 (3) ◽  
pp. 415-419
Author(s):  
O. M. Chernikova ◽  
H. D. Mateik ◽  
Y. V. Ogorodnik
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Band Gap ◽  
First Principles ◽  
Valence Electron ◽  
Electronic Energy ◽  
Energy Spectra ◽  
First Principles Calculations ◽  
Research Systems ◽  
Platinum Clusters

Based on the calculations from the first principles, we obtained the distributions of valence electron densities and electronic energy spectra for small Ptn clusters (where n = 1-5 atoms). According to the results of calculations, it is determined that the inclusion of oxygen atoms or atoms of other kinds in small Ptn clusters, as a rule, affect the catalytic activity of research systems. It is established that during doping of small platinum clusters by atoms of 3-d transition metals (Cu, Ni, Co), the electronic structure of the cluster and the band gap change. This in turn helps to increase the catalytic activity of platinum.

Electron energy loss spectroscopy of diamond-like carbon thin films

1992 ◽  
Vol 50 (2) ◽  
pp. 1272-1273
Author(s):  
J. Kulik ◽  
Y. Lifshitz ◽  
G.D. Lempert ◽  
S. Rotter ◽  
J.W. Rabalais ◽  
...  
Keyword(s):  
Thin Films ◽  
Energy Loss ◽  
Electron Energy ◽  
Ion Beam ◽  
Diamond Like Carbon ◽  
Ion Beam Deposition ◽  
Chemistry Research ◽  
Carbon Thin Films ◽  
Electron Energy Loss ◽  
Beam Deposition

Carbon thin films with diamond-like properties have generated significant interest in condensed matter science in recent years. Their extreme hardness combined with insulating electronic characteristics and high thermal conductivity make them attractive for a variety of uses including abrasion resistant coatings and applications in electronic devices. Understanding the growth and structure of such films is therefore of technological interest as well as a goal of basic physics and chemistry research. Recent investigations have demonstrated the usefulness of energetic ion beam deposition in the preparation of such films. We have begun an electron microscopy investigation into the microstructure and electron energy loss spectra of diamond like carbon thin films prepared by energetic ion beam deposition.The carbon films were deposited using the MEIRA ion beam facility at the Soreq Nuclear Research Center in Yavne, Israel. Mass selected C+ beams in the range 50 to 300 eV were directed onto Si {100} which had been etched with HF prior to deposition.

Thermodynamic Stability of Hexagonal and Rhombohedral Bn at Cvd Conditions from Van der Waals Corrected First Principles Calculations

2019 ◽  
Author(s):  
Henrik Pedersen ◽  
Björn Alling ◽  
Hans Högberg ◽  
Annop Ektarawong
Keyword(s):  
Thin Films ◽  
Thermodynamic Stability ◽  
First Principles ◽  
Thermal Equilibrium ◽  
Density Functional ◽  
Van Der Waals ◽  
Chemical Vapor ◽  
First Principles Calculations ◽  
Functional Theory ◽  
The Stability

Thin films of boron nitride (BN), particularly the sp<sup>2</sup>-hybridized polytypes hexagonal BN (h-BN) and rhombohedral BN (r-BN) are interesting for several electronic applications given band gaps in the UV. They are typically deposited close to thermal equilibrium by chemical vapor deposition (CVD) at temperatures and pressures in the regions 1400-1800 K and 1000-10000 Pa, respectively. In this letter, we use van der Waals corrected density functional theory and thermodynamic stability calculations to determine the stability of r-BN and compare it to that of h-BN as well as to cubic BN and wurtzitic BN. We find that r-BN is the stable sp<sup>2</sup>-hybridized phase at CVD conditions, while h-BN is metastable. Thus, our calculations suggest that thin films of h-BN must be deposited far from thermal equilibrium.

scholarly journals First-principles study of ultrafast and nonlinear optical properties of graphite thin films

2021 ◽  
Vol 103 (8) ◽  
Author(s):  
Mitsuharu Uemoto ◽  
Shintaro Kurata ◽  
Norihito Kawaguchi ◽  
Kazuhiro Yabana
Keyword(s):  
Thin Films ◽  
Optical Properties ◽  
First Principles ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
First Principles Study

scholarly journals Measurement of Electrical Properties of Superconducting YBCO Thin Films in the VHF Range

Materials ◽  
2021 ◽  
Vol 14 (12) ◽  
pp. 3360
Author(s):  
Yakir Dahan ◽  
Eldad Holdengreber ◽  
Elichai Glassner ◽  
Oz Sorkin ◽  
Shmuel E. Schacham ◽  
...  
Keyword(s):  
Thin Films ◽  
Theoretical Model ◽  
Quality Factor ◽  
High Frequency ◽  
Unit Length ◽  
Superconducting Thin Films ◽  
Electrical Parameters ◽  
Very High Frequency ◽  
Production Constraints ◽  
Very High

A new measurement technique of electrical parameters of superconducting thin films at the Very High Frequency (VHF) range is described, based on resonators with microstrip (MS) structures. The design of an optimal resonator was achieved, based on a thorough theoretical analysis, which is required for derivation of the exact configuration of the MS. A theoretical model is presented, from which an expression for the attenuation of a MS line can be derived. Accordingly, simulations were performed, and an optimal resonator for the VHF range was designed and implemented. Production constraints of YBa2Cu3O7 (YBCO) limited the diameter of the sapphire substrate to 3″. Therefore, a meander configuration was formed to fit the long λ/4 MS line on the wafer. By measuring the complex input reflection coefficients of a λ/4 resonator, we extracted the quality factor, which is mainly affected by the dielectric and conductor attenuations. The experimental results are well fitted by the theoretical model. The dielectric attenuation was calculated using the quasi-static analysis of the MS line. An identical copper resonator was produced and measured to compare the properties of the YBCO resonator in reference to the copper one. A quality factor of ~6·105 was calculated for the YBCO resonator, three orders of magnitude larger than that of the copper resonator. The attenuation per unit length of the YBCO layer was smaller by more than five orders of magnitude than that of the copper.

Electron energy loss spectroscopy and first-principles study of GaN via Zn doping

Micron ◽  
2021 ◽  
Vol 143 ◽  
pp. 103012
Author(s):  
Shuang Xing ◽  
Manfu Wang ◽  
Yaru Wang ◽  
Hualong Tao ◽  
Yan Cui ◽  
...  
Keyword(s):  
Energy Loss ◽  
Electron Energy ◽  
Electron Energy Loss Spectroscopy ◽  
First Principles ◽  
Zn Doping ◽  
First Principles Study ◽  
Electron Energy Loss
Sign in / Sign up

Export Citation Format

Share Document