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Ba₁₄Si₄Sb₈Te₃₂(Te₃):一个具有低导热性的新型结构类型中的高价Te

Subhendu Jana¹, Sweta Yadav¹, Swati¹

¹Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana 502284, India. jaiprakash@chy.iith.ac.in.

Dalton transactions (Cambridge, England : 2003)

|June 28, 2023

概括

研究人员合成了一种具有独特结构的新四级聚化,Ba14Si4Sb8Te32(Te3). 这种材料具有半导体特性,包括狭窄带隙和p型导电性,使其对热电应用具有前景.

科学领域:

材料科学材料科学材料科学
固态化学固态化学
晶体学晶体学是指结晶学.

背景情况:

较重的pnictogen (Sb,Bi) chalcogenides因其复杂的结构和半导体特性而得到认可.
这些材料特别适用于热电应用,因为它们具有高效的热电转换潜力.

研究的目的:

为了合成和表征一种新的复杂四级聚化,Ba14Si4Sb8Te32(Te3).
研究合成材料的晶体结构,电子特性和热电性能.

主要方法:

单晶和多晶相的高温合成.
单晶X射线衍射用于结构确定.
测量电阻力,西贝克系数和热导率.
使用DFT方法对电子带结构的理论评估.

主要成果:

一种新型的四级聚化,Ba14Si4Sb8Te32(Te3),已成功合成,结晶成一个前所未有的单临结构 (P21/c).
该结构具有一维[Si4Sb8Te32(Te3) ]28-条纹,由Ba2+分开,具有线性Te3^4-聚化单位.
该材料表现出0.8(2) eV的直接窄带隙,证实其半导体性质.
电阻力随着温度的增加而下降,Seebeck系数是正的,表明p型导电性.
在773 K观察到~0.32 Wm^-1K^-1的异常低的导热率,这归因于Sb3+单一对的格子不和性.

结论:

Ba14Si4Sb8Te32(Te3) 是一种新的结构类型,具有热电应用的潜力.
该材料的半导体性能和低导热性对热电器件的开发具有前景.
复杂的晶体结构和单双电子对Sb的影响对其热电性能作出了重大贡献.

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