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The First Principles Investigations of the Thermoelectric Properties of GaN with p-and n-Type Doping 被引量:2
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作者 吴文涛 吴克琛 +3 位作者 马祖驹 洒荣建 韦永勤 李巧红 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第11期1613-1617,共5页
We investigate the thermoelectric properties of GaN with p- and n-type doping by the first principles calculation and the semi-classical Boltzmann theory. We find that the power factors (Sacr) of p-type GaN (-3500 ... We investigate the thermoelectric properties of GaN with p- and n-type doping by the first principles calculation and the semi-classical Boltzmann theory. We find that the power factors (Sacr) of p-type GaN (-3500 μW/mK2) is about twice that of the n-type (-1750 μW/mK2), which indicates the thermoelectric properties of p-type GaN would be better. Thermal conductivity of GaN crystal decreases rapidly as the temperature increases, but it is still too large for thermoelectric applications. The figure of merit (ZT) estimated at 1500 K is 0.134 for p-type GaN crystal and 0.062 for the n-type. 展开更多
关键词 thermoelectric properties gallium nitride first principles boltzmann theory
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Y_(2)NT_(2)(T=O,F,OH)的热电性质
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作者 王丽 常文利 +1 位作者 孙子琪 张子萌 《宜宾学院学报》 2022年第12期77-84,共8页
利用第一性原理,结合玻尔兹曼输运理论,研究Y_(2)NT_(2)(T=O,F,OH)的热电性质,对电子的弛豫时间和晶格热导率分别用形变势理论和Slack模型计算.结果表明,Y_(2)NO_(2)和Y_(2)N(OH)_(2)的塞贝克系数在室温下均大于690μV/K;对比电子和声... 利用第一性原理,结合玻尔兹曼输运理论,研究Y_(2)NT_(2)(T=O,F,OH)的热电性质,对电子的弛豫时间和晶格热导率分别用形变势理论和Slack模型计算.结果表明,Y_(2)NO_(2)和Y_(2)N(OH)_(2)的塞贝克系数在室温下均大于690μV/K;对比电子和声子热导率发现,电子对热导率的贡献占主要部分,Y_(2)NO_(2)和Y_(2)N(OH)_(2)在900 K时有最大ZT值,尤其是p型Y_(2)NO_(2),当载流子浓度为9.05×10^(11) cm^(-2)时达到最大值0.90,这表明它是一种潜在的中温热电材料. 展开更多
关键词 MXenes 热电性质 第一性原理计算 玻尔兹曼理论
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