The effect of Sn doping on the electronic and mechanical properties of Ti3Al1-xSnxC2 MAX phases
| Autor: | Aysenur Gencer, Aytaç Erkişi |
|---|---|
| Přispěvatelé: | Gencer, Ayşenur |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
electronic stability
Materials science Fizik Ortak Disiplinler Physics Multidisciplinary Electric load flow General Physics and Astronomy Generalized Gradient Approximation Powder Crystals Shear flow Al Ti3sic2 First principles method Solids MAX phases MAX phasis density functional theory Thermodynamically stable MAX phases nanolaminated ternary carbides electronic stability anisotropic elastic density functional theory Wave velocity Doping Additives Elastic moduli Ab-Initio Ti3alc2 Aluminum compounds High-Purity Enhancement factor Synthesis conditions Tin Electronic properties anisotropic elastic Physical chemistry Titanium compounds Band fillings Stability Power flow angle nanolaminated ternary carbides |
| Zdroj: | Volume: 45, Issue: 2 105-117 Turkish Journal of Physics |
| ISSN: | 1300-0101 1303-6122 |
| DOI: | 10.3906/fiz-2101-6 |
| Popis: | The phase pure synthesis of Ti3 AlC2 MAX phase is quite difficult and some additives are required to get a phase pure Ti3 AlC2 such as Sn. In this study, Sn doped Ti3 AlC2 MAX phase has been investigated taking into account the experimental synthesis conditions where some Sn atoms could replace Al atoms in the structure. For this purpose, Ti3 Al1-x Snx C2 with x ranging from 0 to 1 with 0.1 interval has been studied using the first principles method and the results show that all compositions are thermodynamically stable. The electronic properties of these compositions have been studied using band filling theory in detail. Also, the mechanical properties of these compounds such as shear modulus, Poisson's ratio, Young's modulus, sound wave velocities, polarization of the sound waves, enhancement factor, the power flow angle and etc. have been obtained with the varying directions and the three-dimensional mechanical properties have been visualized. © 2021 TUBITAK. All rights reserved. |
| Databáze: | OpenAIRE |
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