The relations between electronic structure,chemical bond and thermoelectric property of misfit layered cobaltite of Ca_3Co_(4)O_9 and La-doped series are studied using density function and discrete variation method (DFT-DVM).
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美
- 用離散變分密度泛函方法(DFT DVM)計算了失配層鈷酸鹽Ca3Co4O9及其摻La系列,討論了電子結構、化學(xué)鍵等與熱電性能之間的關(guān)系。