O472.1 97053431ZnS(111)表面电子结构研究=Study of the electronicstructure of ZnS(111)[刊,中]/班大雁,张海峰,李永平,方容川(中国科技大学物理系.安徽.合肥(230026))//物理学报.—1996,45(9).—1526—1535利用Muffin—Tin轨道线性...O472.1 97053431ZnS(111)表面电子结构研究=Study of the electronicstructure of ZnS(111)[刊,中]/班大雁,张海峰,李永平,方容川(中国科技大学物理系.安徽.合肥(230026))//物理学报.—1996,45(9).—1526—1535利用Muffin—Tin轨道线性组合(LMTO)法,采用slab模型计算了半导体ZnS(111)表面的电子结构,给出了总体、局域及分波态密度,分析了两种slab模型的表面稳定性和表面态。理论态密度曲线与ZnS(111)表面同步辐射光电子能谱相符合。图9参22(严寒)展开更多
Based on Peltier effect,Bi_(2)Te_(3)-based alloy is widely used in commercial solid-state refrigeration at room temperature.The mainstream strategies for enhancing room-temperature thermoelectric performance in Bi_(2)...Based on Peltier effect,Bi_(2)Te_(3)-based alloy is widely used in commercial solid-state refrigeration at room temperature.The mainstream strategies for enhancing room-temperature thermoelectric performance in Bi_(2)Te_(3)focus on band and microstructure engineering.However,a clear understanding of the modulation of band structure and scattering through such engineering remains still challenging,because the minority carriers compensate partially the overall transport properties for the narrow-gap Bi_(2)Te_(3)at room temperature(known as the bipolar effect).The purpose of this work is to model the transport properties near and far away from the bipolar effect region for Bi_(2)Te_(3)-based thermoelectric material by a two-band model taking contributions of both majority and minority carriers into account.This is endowed by shifting the Fermi level from the conduction band to the valence band during the modeling.A large amount of data of Bi_(2)Te_(3)-based materials is collected from various studies for the comparison between experimental and predicted properties.The fundamental parameters,such as the density of states effective masses and deformation potential coefficients,of Bi_(2)Te_(3)-based materials are quantified.The analysis can help find out the impact factors(e.g.the mobility ratio between conduction and valence bands)for the improvement of thermoelectric properties for Bi_(2)Te_(3)-based alloys.This work provides a convenient tool for analyzing and predicting the transport performance even in the presence of bipolar effect,which can facilitate the development of the narrow-gap thermoelectric semiconductors.展开更多
文摘O472.1 97053431ZnS(111)表面电子结构研究=Study of the electronicstructure of ZnS(111)[刊,中]/班大雁,张海峰,李永平,方容川(中国科技大学物理系.安徽.合肥(230026))//物理学报.—1996,45(9).—1526—1535利用Muffin—Tin轨道线性组合(LMTO)法,采用slab模型计算了半导体ZnS(111)表面的电子结构,给出了总体、局域及分波态密度,分析了两种slab模型的表面稳定性和表面态。理论态密度曲线与ZnS(111)表面同步辐射光电子能谱相符合。图9参22(严寒)
基金National Natural Science Foundation of China(T2125008,92263108,92163203,52102292,52003198)Shanghai Rising-Star Program(23QA1409300)Innovation Program of Shanghai Municipal Education Commission(2021-01-07-00-07-E00096)。
文摘Based on Peltier effect,Bi_(2)Te_(3)-based alloy is widely used in commercial solid-state refrigeration at room temperature.The mainstream strategies for enhancing room-temperature thermoelectric performance in Bi_(2)Te_(3)focus on band and microstructure engineering.However,a clear understanding of the modulation of band structure and scattering through such engineering remains still challenging,because the minority carriers compensate partially the overall transport properties for the narrow-gap Bi_(2)Te_(3)at room temperature(known as the bipolar effect).The purpose of this work is to model the transport properties near and far away from the bipolar effect region for Bi_(2)Te_(3)-based thermoelectric material by a two-band model taking contributions of both majority and minority carriers into account.This is endowed by shifting the Fermi level from the conduction band to the valence band during the modeling.A large amount of data of Bi_(2)Te_(3)-based materials is collected from various studies for the comparison between experimental and predicted properties.The fundamental parameters,such as the density of states effective masses and deformation potential coefficients,of Bi_(2)Te_(3)-based materials are quantified.The analysis can help find out the impact factors(e.g.the mobility ratio between conduction and valence bands)for the improvement of thermoelectric properties for Bi_(2)Te_(3)-based alloys.This work provides a convenient tool for analyzing and predicting the transport performance even in the presence of bipolar effect,which can facilitate the development of the narrow-gap thermoelectric semiconductors.
