In current report,the structural,magnetic,and thermoelectric properties of RE doped MgPm_(2)X_(4)(X=S,Se) spinels were investigated.The energy difference in ferromagnetic and antiferromagnetic states reveals the stabi...In current report,the structural,magnetic,and thermoelectric properties of RE doped MgPm_(2)X_(4)(X=S,Se) spinels were investigated.The energy difference in ferromagnetic and antiferromagnetic states reveals the stability of MgPm_(2)(S/Se)_(4) in the ferromagnetic states.The co mputation of enthalpy of formation also ascertains thermodynamic stability of crystal structure.Spin-dependent band structure and density of states analysis reveal ferromagnetic semiconducting character showing different electronic behavior in both spin channels.The room temperature ferromagnetism,spin polarization and Curie temperature are estimated from exchange energies analysis.In addition,exchange constants(N_(0)α and N_(0)β),exchange energy Δ_(x)(pd),crystal ifeld energy,and double exchange mechanism were studied to explore the magnetic response.Likewise,the electrical conductivity,thermal conductivity,Seebeck co-efficient,and power factor show effect on electrons spin and their potential for thermoelectric devices.展开更多
基金funded by the Princess Nourah bint Abdulrahman University Researchers Supporting Project(PNURSP2023R29)Princess Nourah bint Abdulrahman University,Riyadh,Saudi Arabiathe Deanship of Scientific Research at King Khalid University,SaudiArabia for funding this work through Large Groups Project(L.R.G.P2/431/44)。
文摘In current report,the structural,magnetic,and thermoelectric properties of RE doped MgPm_(2)X_(4)(X=S,Se) spinels were investigated.The energy difference in ferromagnetic and antiferromagnetic states reveals the stability of MgPm_(2)(S/Se)_(4) in the ferromagnetic states.The co mputation of enthalpy of formation also ascertains thermodynamic stability of crystal structure.Spin-dependent band structure and density of states analysis reveal ferromagnetic semiconducting character showing different electronic behavior in both spin channels.The room temperature ferromagnetism,spin polarization and Curie temperature are estimated from exchange energies analysis.In addition,exchange constants(N_(0)α and N_(0)β),exchange energy Δ_(x)(pd),crystal ifeld energy,and double exchange mechanism were studied to explore the magnetic response.Likewise,the electrical conductivity,thermal conductivity,Seebeck co-efficient,and power factor show effect on electrons spin and their potential for thermoelectric devices.
