Influence of the elements (Pn = As, Sb, Bi) on the transport properties of p-type Zintl compounds Ba₂ZnPn₂

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• 作者：Xiwen Zhang ; Chao Wang ; Yuan Xu Wang ; ^{wangyx@henu.edu.cn}
• 关键词：Deformation potential (DP) theory ; Ba2ZnPn2 (Pn  ; =  ; As ; Sb ; Bi) ; Electronic structures ; Thermoelectric transport
• 刊名：Computational Materials Science
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：127
• 期：Complete
• 页码：8-14
• 全文大小：2484 K
• 卷排序：127

文摘

Deformation potential theory was employed to estimate relaxation time of Ba2ZnPn2. Seebeck coefficient of Ba2ZnAs2 monotonously increases with increasing temperature. p-type Ba2ZnAs2 shows a potentially higher thermoelectric performance than Ca5Al2Sb6. The peak ZT value along z-direction for p-type Ba2ZnAs2 is larger than 2. The chain-like structure may induce a high electrical conductivity along z.