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<strong>Structural, elastic, electronic and optical properties of metastable MAX phase Ti5SiC4 compound</strong>

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Title Statement <strong>Structural, elastic, electronic and optical properties of metastable MAX phase Ti5SiC4 compound</strong>
 
Added Entry - Uncontrolled Name Uddin, Md. Mohi; Chittagong University of Engineering & Technology (CUET)
Ali, M. A.; Lecturer
Ali, M. S.; Lecturer
The authors would like to express their thanks to Professor A. K. M. Azharul Islam, Department of Physics, Rajshahi University, Rajshahi-6205, Bagnladesh for computational support at his laboratory.
 
Uncontrolled Index Term Theoretical condensed matter physics
MAX phase compound; Ti5SiC4 compound; Elastic properties; Electronic properties; Optical properties
 
Summary, etc. The MAX phase compound Ti<sub>5</sub>SiC<sub>4</sub> has been theoretically studied using the first principles pseudo-potential plane wave method within the generalized gradient approximation (GGA). The structural, elastic (bulk modulus, shear modulus, compressibility, Young modulus, anisotropic factor, Pugh ratio, Poisson’s ratio), electronic and optical properties (dielectric function, refractive index, photoconductivity, absorption coefficient, loss function and reflectivity) of Ti<sub>5</sub>SiC<sub>4</sub> have been calculated. The energy band structure and density of states (DOS) are also calculated. The electrical conductivity is metallic with a high DOS at the Fermi level (<em>E</em><sub>F</sub>) with Ti 3<em>d</em> states dominating. The mechanical stability is confirmed using calculated elastic constants, <em>C</em><sub>ij</sub>. The reflectance spectrum of the compound shows that it can be used as a solar reflector.
 
Publication, Distribution, Etc. Indian Journal of Pure & Applied Physics (IJPAP)
2016-06-22 09:57:45
 
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http://op.niscair.res.in/index.php/IJPAP/article/view/4502
 
Data Source Entry Indian Journal of Pure & Applied Physics (IJPAP); ##issue.vol## 54, ##issue.no## 6 (2016): Indian Journal of Pure & Applied Physics
 
Language Note en
 
Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJPAP/article/download/4502/9709
 
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