Ⅰ型Sr填充Si基单晶笼合物为具有较高热电性能的热电材料.基于第一性原理分别对Sr填充Si基笼合物Sr8Ga16Si30-xSnx(x=0、1、5、10)的能带结构和态密度进行计算,结果表明随着Sn原子含量的增加,笼合物晶格常数变大,带隙变小,Sn原子和Si原子的共同作用使得材料能带结构发生改变,Sn掺杂使得材料的带边结构不对称性加剧,表明其因具有较为优越的热电性能.
参考文献
| [1] | 焦正宽;汪壮兵.热电材料新进展[J].功能材料,2002(2):115-119. |
| [2] | G.JEFFREY SNYDER;ERIC S.TOBERER.Complex thermoelectric materials[J].Nature materials,20082(2):105-114. |
| [3] | Joseph R. Sootsman;Duck Young Chung;Mercouri G. Kanatzidis.New and Old Concepts in Thermoelectric Materials[J].Angewandte Chemie,200946(46):8616-8639. |
| [4] | Synthesis and Thermoelectric Properties of Silicon Clathrates Sr_8Al_xGa_(16-x)Si_(30) with the Type-Ⅰ and Type-Ⅷ Structures[J].Applied physics express,20083(3):1-3. |
| [5] | Nick P. Blake;Lone Mollnitz;Georg Kresse;Horia Metiu.Why clathrates are good thermoelectrics: A theoretical study of Sr_8Ga_(16)Ge_(30)[J].The Journal of Chemical Physics,19997(7):3133-3144. |
| [6] | F. Bridges;L. Downward.Possible mechanism for glass-like thermal conductivities in crystals with off-center atoms[J].Physical review, B. Condensed matter and materials physics,200414(14):140201.1-140201.4. |
| [7] | Nolas GS.;Slack GA.;Schujman SB.;Cohn JL..Semiconducting Ge clathrates: Promising candidates for thermoelectric applications[J].Applied physics letters,19982(2):178-180. |
| [8] | 孟代仪;申兰先;晒旭霞;董国俊;邓书康.Ge掺杂n型Sn基VIII型单晶笼合物的制备及热电传输特性[J].物理学报,2013(24):247401-1-247401-6. |
| [9] | 李德聪 .Ge基及Sn基笼合物的制备、结构及热电特性研究[D].重庆大学,2012. |
| [10] | Suekuni K;Avila MA;Umeo K;Takabatake T.Cage-size control of guest vibration and thermal conductivity in Sr8Ga16Si30-xGex[J].Physical review, B. Condensed matter and materials physics,200719(19):5210-1-5210-6-0. |
| [11] | Nick P.Blake;Susan Latturner;J.Daniel Bryan.Band structures and thermoelectric properties of the clathrates Ba_8Ga_(16)Ge_(30), Sr_8Ga_(16)Ge_(30), Ba_8Ga_(16)Si_(30), and Ba_8In_(16)Sn_(30)[J].The Journal of Chemical Physics,200117(17):8060-8073. |
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