Abstract
ABSTRACT In the following work, we are mainly focused on the study of the structural, magnetic and electronic properties of Cr2Ge2Te6 and Cr2Si2Te6 compounds using DFT combined with the Monte-Carlo simulation method. We have used the Generalized Gradient Approximation of Perdew, Burke and Ernzerhof (GGA-PBE) for modeling the exchange-correlation potential.The results obtained for the density of states and the band structure reveal that our compounds have a semiconductors character. The structural properties of both compounds are given for the lattice constants and the bulk moduli and their pressure derivatives. In addition, we have been studying the effect of the external magnetic field on the magnetic phase transitions, critical temperature, magnetization, susceptibility and hysteresis cycles of these materials. The magnetic entropy, the specific heat capacity and the relative cooling power for different external magnetic fields are obtained around the critical temperature.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
