Thermal Properties of Ga Doped ZnO Oxide

Abstract

Abstract: The thermal consants and the thermal transport properties of the Ga doped wurrite type ZnO have been investigated by ab-initial calculations based on the density functional theory as well as the linear response density perturbation functional theory. The results show that the Ga doped wurrite type ZnO has increased lattice. The lattice heat capacity increases with increasing temperature for both systems, and the heat capacities reach 16.5 Cal.mol-1K-1 and 31.3Cal.mol-1K-1 for the pure ZnO and the Ga doped ZnO at 900K, respectively. The Debye temperature increases with increasing temperature for both systems. There are new vibrational modes that has been introduced by Ga doping.

Key words: materials, ZnO, Ga doping, thermal properties

CLC Number:

TN377
O481

Ma Shuozhang1, Zhang Feipeng2,3*, Fang Hui1, Zhang Xin3, Lu Qingmei3, Zhang Jiuxing3. Thermal Properties of Ga Doped ZnO Oxide[J]. J4, 2015, 32(1): 107-112.

References

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