Theoretical study of the structural,electronic and magnetic properties of equiatomic quaternary CoTcCrZ (Z = Si,Ge, P) Heusler alloys |
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| Institution: | 1. Department of Physics, Govt. Rizwiya Islamia Post Graduate College Haroon Abad, Punjab, Pakistan;2. Department of Physics, Hafiz Hayat Campus, University of Gujrat, Gujrat 50700, Pakistan;3. Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan;4. Department of Physics, Govt. College University Lahore, Lahore, Pakistan;5. School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, PR China;6. The School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070, PR China;1. Laboratoire de la Matière Condensée et des Sciences Interdisciplinaires (LaMCScI), Faculty of Sciences, Mohammed V University of Rabat, B.P. 1014, Rabat, Morocco;2. USM/DERS/Centre National de l''Energie, des Sciences et des Techniques Nucléaires (CNESTEN), Rabat, Morocco;3. Intelligent Processing and Security of Systems, Faculty of Sciences, Mohammed V University of Rabat, B.P. 1014 Rabat, Morocco |
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| Abstract: | In this study, full potential linearized augmented plane wave (FP-LAPW) method has been used to calculate structural, electronic and magnetic characteristics of CoTcCrZ (Z = Si, Ge, P) Equiatomic Quaternary Heusler alloys (EQHAs). Furthermore, Generalized Gradient Approximation (GGA) and Hubbard potential (GGA+U) are adopted in the parametrization of Perdew-Burke-Ernzerhof (PBE). Structural stability calculations confirmed that the Type II is the most stable structure of all considered alloys. Further investigations were carried out for the most stable Type (i.e. Type II). Comparison of electronic structure calculations performed by GGA and GGA+U methods concluded that considered alloys show half-metallic nature for GGA+U method. Magnetic moments for all these alloys are determined which are found in accordance to the Slater-Pauling rule. Half-metallicity has been verified in all these considered Heusler alloys (HAs) from the calculations of spin-polarization at the Fermi level (EF). Moreover, the Curie temperature (Tc) is estimated by employing mean field approximation (MFA). |
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