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Metals
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Mechanical, Optical and Electronic Properties of Metallic Thin Films: Experimental...
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Mechanical, Optical and Electronic Properties of Metallic Thin Films: Experimental and Computational Studies

A special issue of Metals (ISSN 2075-4701). This special issue belongs to the section "Metallic Functional Materials".

Deadline for manuscript submissions: closed (31 August 2023) | Viewed by 3937

Special Issue Editor

Dr. Shahram Solaymani

E-Mail Website
Guest Editor
Quantum Technologies Research Center (QTRC), Science and Research Branch, Islamic Azad University, Tehran 1477893855, Iran
Interests: thin films; carbon films; fractal dimensions; alloys; localized surface plasmon, magnetism; metal-based nanocomposites; electrochemical capacitors

Special Issue Information

Dear Colleagues,

Full access to the technological applications of the electronic materials will be achieved if the structure and properties of these materials are changed in nanoscale dimensions. The importance and correct inference of the relationship between structure and property is a fundamental element in the research advancement of mechanical, optical, and electronic materials for wide range of sensors, microelectromechanical, and solar cells applications. Critically, microstructure, surface/interface behavior, mechanical defect, and their changes need to be deeply understood for detailed examination of their applications, especially for new opto-electro devices.

This Special Issue includes experimental techniques, methods, and computational of mechanical, optical, and electronic properties of metallic thin films.

Researchers who are interested in thin films, carbon films, alloys, metal-based nanocomposites, and capacitors are invited to submit articles for publication.

Dr. Shahram Solaymani
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • thin films
  • carbon films
  • alloys
  • metal-based nanocomposites
  • capacitors

Published Papers (2 papers)

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Research

14 pages, 5312 KiB  
Article
Theoretical Predictions of Structure, Mechanics, Dislocation, and Electronics Properties of FeTi Alloy at High Pressure
by Linkun Zhang, Hong Chen, Zhipeng Wang, Li Ma and Pingying Tang
Metals 2023, 13(9), 1547; https://doi.org/10.3390/met13091547 - 1 Sep 2023
Viewed by 821
Abstract
The influences of applied pressure on the structure, mechanics, dislocation, and electronics properties of an FeTi hydrogen storage alloy are theoretically investigated via first-principles calculations. The lattice parameter ratio, elastic constant, Young’s modulus, bulk modulus, shear modulus, ductile/brittle, Poisson’s ratio, anisotropy, Cauchy pressure, [...] Read more.
The influences of applied pressure on the structure, mechanics, dislocation, and electronics properties of an FeTi hydrogen storage alloy are theoretically investigated via first-principles calculations. The lattice parameter ratio, elastic constant, Young’s modulus, bulk modulus, shear modulus, ductile/brittle, Poisson’s ratio, anisotropy, Cauchy pressure, yield strength, Vickers hardness and energy factor are discussed versus applied pressure. The results show that the FeTi alloy exhibits good mechanical stability under applied pressure between 0 and 50 GPa, and the mechanical properties are significantly improved under applied pressure, like the resistances to elastic, bulk, and shear deformations, the material ductility and metallicity, as well as Vickers hardness and yield strength. Moreover, the electronic structures reveal that the FeTi alloy has metallic properties and the structural stability of the FeTi hydrogen storage alloy is enhanced at high pressure. This work provides significant value for high-pressure applications of FeTi alloys in hydrogen storage and supply fields. Full article
(This article belongs to the Special Issue Mechanical, Optical and Electronic Properties of Metallic Thin Films: Experimental and Computational Studies)
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19 pages, 10276 KiB  
Article
Co2CrAl Heuslerene: Mechanical, Thermodynamic and Electronic Properties
by Arash Boochani, Moein Asshabi, Jabbar Khodadadi, Elmira Sartipi, Morteza Jamal, Jamshid Sabbagzadeh, Masoud Shahrokhi, Malieheh Amiri, Arash Yari, Shahram Solaymani, Amir hossein Sari and Saeid Jalali-Asadabadi
Metals 2023, 13(3), 582; https://doi.org/10.3390/met13030582 - 13 Mar 2023
Viewed by 1418
Abstract
This work investigates the ground state’s stability of the bulk and three Heuslerene Co2CrAl compounds, named as α, β, and γ phases, by density functional theory (DFT) with the generalized gradient approximation (GGA), GGA+U, and GGA+U+mBJ approximations. The results demonstrate the [...] Read more.
This work investigates the ground state’s stability of the bulk and three Heuslerene Co2CrAl compounds, named as α, β, and γ phases, by density functional theory (DFT) with the generalized gradient approximation (GGA), GGA+U, and GGA+U+mBJ approximations. The results demonstrate the ground state stability of all mentioned cases since they pass the thermodynamic, elastic, and phonon stability tests. All three structures are more stable in the ferromagnetic phase than the antiferromagnetic phase. In the β phase, Young’s and Shear’s moduli were 73.97 GPa and 24.83 GPa, respectively. The thermodynamic diagram has shown existence of the accessible region, which indicates the possibility of making this structure. For all three structures, the phonon branches in the symmetry paths are positive, which represent the complete dynamic stability of these compositions in the presence of mechanical stresses and thermal vibrations. According to the electronic calculations, the bulk phase of Co2CrAl is a half-metal with 3μB magnetic moment and 100% spin polarization at the Fermi level. Furthermore, all imposed approximations approve that α and γ Heuslerenes are metal for both spin directions, while the GGA+U+mBJ approximation indicates that β phase is a ferromagnetic half-metal of 1μB magnetic moment. Based on the electron density diagrams, the highest (lowest) amount of electron density is created on the α (β) phase surface. Full article
(This article belongs to the Special Issue Mechanical, Optical and Electronic Properties of Metallic Thin Films: Experimental and Computational Studies)
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