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| Soufivand, Anahita Ahmadi |
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| Fearraigh, B. Ó. |
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| Bhaswant, Maharshi |
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| Mouni, Lotfi |
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| Ghosh, Angsula |
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| Romero Resendiz, Liliana |
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| Mendesfelipe, Cristian |
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| Golias, Evangelos | Lund |
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| Pons, Tony |
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| Ferreira, Saulo Rocha |
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| Sanguineti, M. |
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| Ziegler, Andreas |
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| Zhang, Kailun |
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| Höfer, Philipp |
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| Zhengis, Arshyn |
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| Danelon, Miguel R. |
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| Baral, P. |
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| Beltrán, Ana M. |
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| Vippola, Minnamari | Tampere |
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| Perna, Alessia Serena | Naples |
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| Larsson, Henrik | Stockholm |
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| Kpemou, A. M. |
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| Le Gall, Alice |
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| Matteo, Pietro Di |
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| Kojouri, Ali Shivaie |
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Ali, M. A.
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Publications (7/7 displayed)
- 2025Towards standardisation of the out-of-plane permeability measurement for reinforcement textiles
- 2023Exploring wide-parametric range for tool electrode selection based on surface characterization and machining rate employing powder-mixed electric discharge machining process for Ti6Al4V ELIcitations
- 2021Atom Transfer Radical Polymerization of Styrene and Acrylates: Effects of Catalyst, Ligand, Solvent, and Initiatorcitations
- 2021Optoelectronic, thermodynamic and vibrational properties of intermetallic MgAl2Ge2: a first-principles studycitations
- 2016New MAX Phase Compound Mo<sub>2</sub>TiAlC<sub>2</sub>: First-principles Studycitations
- 2015First-principles Study of Vickers Hardness and Thermodynamic Properties of Ti<sub>3</sub>SnC<sub>2</sub> Polymorphscitations
- 2013Formation of one-dimensional self-assembled silicon nanoribbons on Au(110)-(2 x 1)citations
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article
New MAX Phase Compound Mo<sub>2</sub>TiAlC<sub>2</sub>: First-principles Study
Abstract
<jats:p>A theoretical study of the Mo2TiAlC2 compound belonging to the MAX phases has been performed by using the first-principles pseudopotential plane-wave method within the generalized gradient approximation (GGA). We have calculated the structural, elastic, electronic and optical properties of Mo2TiAlC2. To confirm mechanical stability, the elastic constants Cij are calculated. Other elastic parameters such as bulk modulus, shear modulus, compressibility, Young modulus, anisotropic factor, Pugh ratio, Poissons ratio are also calculated. The energy band structure and density of states are calculated and analyzed. The results show that the electrical conductivity is metallic with a high density of states at the Fermi level in which Mo 4d states dominate. Furthermore, the optical properties such as dielectric function, refractive index, photoconductivity, absorption coefficients, loss function and reflectivity are also calculated. Its reflectance spectrum shows that it has the potential to be used as a promising shielding material to avoid solar heating.</jats:p>