摘要
MnSi1.7在光电子器件领域有广泛的应用前景。由于化合物结构的复杂，对MnSi1.7能带结构的研究仅限于实验上，而且不同实验测量的能隙值不同。首次利用“第一性原理”，对MnSi1.7（Mn4Si7相）的电子特性进行了理论计算。计算结果表明，MnSi1.7（Mn4Si7）具有0．83eV的直接能隙，这预示了MnSi1.7在光电上有着重要的应用前景。
MnSi1.7 has attracted great interests for its potential application on photoelectric devices. There are only experimental studies due to the complex structure formation of MnSi1.7, which showed different band gap values. In this work, the electronic properties of Mn4Si7, which is one phase of MnSi1.7, has been calculated by using first principles for the first time. The band structure calculation suggests that Mn4Si7 has a direct band gap of 0. 82 eV, which proves that it has important application potentials in the photoelectric fields.
出处
《装甲兵工程学院学报》
2006年第3期84-89,共6页
Journal of Academy of Armored Force Engineering
关键词
锰硅半导体
能带
电子结构
能隙
MnSi semiconductor
energy band
electronic structure
band gap
