摘要
The thermodynamics properties and thermal conductivity of Mg2Pb at high pressures have been calculated by first-principles.The enthalpy of formation and heat capacity obtained at 0 GPa are in good agreement with the experiments and other theoretical results.The thermal conductivity and coefficient of thermal expansion of Mg2 Pb at high pressure were evaluated.The thermal conductivity presents a second-order polynomial with pressure.The calculated thermal conductivity of Mg2Pb indicates that it is suitable to be used as thermal conductor at 0 K.
The thermodynamics properties and thermal conductivity of Mg2Pb at high pressures have been calculated by first-principles. The enthalpy of formation and heat capacity obtained at 0 GPa are in good agreement with the experiments and other theoreti- cal results. The thermal conductivity and coefficient of thermal expansion of Mg2Pb at high pressure were evaluated. The thermal conductivity presents a second-order polynomial with pressure. The calculated thermal conductivity of Mg2Pb indi- cates that it is suitable to be used as thermal conductor at 0 K.
基金
supported by the National Natural Science Foundation of China(Grant No.51201079)
the Scientific Research Foundation for Introduced Talents of KMUST(Grant No.KKSY201251033)
the Scientific Research Fund of Department of Education of Yunnan Province(Grant No.2012Z099)
