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体积压缩对二硼化物电子结构的影响

DOI: 10.11858/gywlxb.2004.03.012, PP. 267-272

Keywords: 硼化物,态密度,能带,高压

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Abstract:

应用准确的第一原理方法,对20种二硼化物进行了体积压缩后的电子结构比较研究,总结了二硼化物电子结构随体积的变化规律,为进一步的压力实验研究提供理论参考。

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