期刊
JOURNAL OF APPLIED PHYSICS
卷 87, 期 6, 页码 3168-3170出版社
AMER INST PHYSICS
DOI: 10.1063/1.372316
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The optical band gap (E-g) of the filled tetrahedral semiconductor LiMgAs [viewed as a zinc-blende AlAs-like (MgAs)(-) lattice partially filled with He-like Li+ interstitials] was studied. The band gap of LiMgAs is found to be direct, with a forbidden gap of 2.29 eV at 300 K (2.38 eV at 77 K) as LiZnP predicted theoretically by an interstitial insertion rule. As a result of the replacement of Zn by a lighter element, Mg, the band gap of LiMgAs is much larger than that of LiZnAs (E-g = 1.51 eV at 300 K), but also is larger than that of AlAs (E-g = 2.16 eV). The ordered structure between Li and Mg is not confirmed exactly by x-ray diffraction studies, since raliability index R for the ordered arrangement is close to that of the random one. (C) 2000 American Institute of Physics. [S0021-8979(00)03306-5].
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