Investigation of the energy band structure of orthorhombic BaSi2 by optical and electrical measurements and theoretical calculations
Investigation of the energy band structure of orthorhombic BaSi2 by optical and electrical measurements and theoretical calculations
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DOI：
10.1063/1.1498865
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发表时间：
2002-07
影响因子：
4
通讯作者：
Tomoyuki Nakamura;T. Suemasu;K. Takakura;F. Hasegawa;A. Wakahara;M. Imai
中科院分区：
文献类型：
--
作者：
Tomoyuki Nakamura;T. Suemasu;K. Takakura;F. Hasegawa;A. Wakahara;M. Imai
研究了通过AR大气中的ARC熔化制备的多晶原晶Basi2的光学和电性能。在室温下测得的光吸收光谱表明间接吸收边缘分别为1.15和1.25 eV。从电阻率的温度依赖性估计的活化能为1.10 eV。这些结果与使用密度函数理论的第一原理计算，与原理计算的计算出的谱带结构很好地吻合。
Optical and electrical properties of polycrystalline orthorhombic BaSi2 prepared by arc melting in Ar atmosphere were investigated. The optical absorption spectra measured at room temperature showed that indirect and direct absorption edges were 1.15 and 1.25 eV, respectively. The activation energy estimated from temperature dependence of the resistivity was 1.10 eV. These results agreed well with a calculated band structure of the orthorhombic BaSi2 by first principles calculation using density functional theory.