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Jani, A. R.
- Structural Study of FeC:A First Principles Approach
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1 Department of Science & Humanities, B.&B. Institute of Technology, Vallabh Vidyanagar, Gujarat, IN
2 Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat, IN
1 Department of Science & Humanities, B.&B. Institute of Technology, Vallabh Vidyanagar, Gujarat, IN
2 Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat, IN
Source
Invertis Journals of Science & Technology, Vol 10, No 1 (2017), Pagination: 15-20Abstract
Iron Carbide exist in earth's lower mantle and it crystallize in various crystallographic structure depending upon the thermodynamic conditions. The thermodynamic state of lower earth region are quite complicated due to simultaneous effect of pressure and/or temperature. In such a situation the study of pressure dependent properties of FeC is important. In the present paper, we report the structural properties of FeC using first principles calculations. The structural properties are studied at various pressures in order to determine the high pressure behavior of this carbide in rock salt structure. The computed properties agree well with the previously reported results. One of the most important properties of the material is the pressure induced structural phase transition from one phase to another. In the present study, we do not observe any structural phase transition from rock salt structured FeC to CsCl structured FeC up to 100 GPa. The present results are also useful as FeC is refractory carbide, a material of great technological importance at non ambient conditions.Keywords
Structural Properties, Density Functional Theory.Full Text
- Thermal Decomposition Studies of CrxMo1-xSe2 (x=0.25, 0.50, 0.75) Single Crystals
Abstract Views :459 |
PDF Views:1
Authors
Affiliations
1 S.S. Agrawal College of Arts, Commerce and Management, Navsari, Veer Narmad South Gujarat University-396445, Gujarat, IN
2 Laxmi Institute of Technology, Sarigam, Gujarat Technological University-396155, Gujarat, IN
3 Department of Physics, Sardar Patel University, Vallabh Vidyanagar-388120, Gujarat, IN
1 S.S. Agrawal College of Arts, Commerce and Management, Navsari, Veer Narmad South Gujarat University-396445, Gujarat, IN
2 Laxmi Institute of Technology, Sarigam, Gujarat Technological University-396155, Gujarat, IN
3 Department of Physics, Sardar Patel University, Vallabh Vidyanagar-388120, Gujarat, IN
Source
Invertis Journals of Science & Technology, Vol 10, No 2 (2017), Pagination: 86-92Abstract
The thermal behavior of some mixed transition metal dichalcogenides CrxMo1-xSe2 (x=0.25, 0.50, 0.75) were investigated using different thermal techniques. These include thermogravimetry (TGA), derivative thermogravimetry (DTG) and differential thermal analysis (DTA). The thermogravimetry data allowed the determination of activation energy and frequency factor. The relative thermal stabilities of the studied compounds have been evaluates in terms of composition (x) and follow the order 0.25>0.50>0.75. The DTA pattern shows a strong endothermic transition around 550K. The different kinetic parameters: entropy, enthalpy and Gibbs free energy were evaluated using Piloyan-Novikova and Coats-Redfern relations.Keywords
Chalcogenides, Single Crystals, Thermal Analysis, Thermogravimetry (TGA).Full Text
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