نوع مقاله : مقاله پژوهشی
نویسندگان
1 گروه فیزیک دانشگاه شهید چمران اهواز
2 گروه فیزیک، دانشکدۀ علوم، دانشگاه شهید چمران اهواز، اهواز، ایران
3 دانشگاه
چکیده
کلیدواژهها
عنوان مقاله [English]
نویسندگان [English]
In this paper, the electronic and thermoelectric properties of Sb1-xAxNSr3, A=P, As, and Bi has been investigated. The calculations were done within density functional theory and using pseudo-potential method with plane wave. HSE hybrid functional was used for exchange correlation potential. The electronic results showed that band gap increases by doping P and As atoms and decreases by doping Bi atom. The seebeck coeficient, electrical conductivity and electronic thermal conductivity were calculated in three temperatures of 300, 500 and 700 K. The response of electrical conductivity had similar behavior in three themperature for all imurities. The electronic thermal conductivity increases with temperature. Seebeck coefficient in the room temperature were obtained higher than that of other temperaturs. The maximum Seebeck coefficient of Sb1-xAxNSr3 was higher than that of others.
In this paper, the electronic and thermoelectric properties of Sb1-xAxNSr3, A=P, As, and Bi has been investigated. The calculations were done within density functional theory and using pseudo-potential method with plane wave. HSE hybrid functional was used for exchange correlation potential. The electronic results showed that band gap increases by doping P and As atoms and decreases by doping Bi atom. The seebeck coeficient, electrical conductivity and electronic thermal conductivity were calculated in three temperatures of 300, 500 and 700 K. The response of electrical conductivity had similar behavior in three themperature for all imurities. The electronic thermal conductivity increases with temperature. Seebeck coefficient in the room temperature were obtained higher than that of other temperaturs.
کلیدواژهها [English]