Band Structure of Layered Semiconductor α-In_2Se_3

概要

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The electronic band structure of layered semiconductor cv-In.Se. is calculated by us-ing the KKR method. For the muffin-tin potential constructed from the ionized atomsIn""' and Se "" the band gap is obtained to be about 1.45 eV which is consistentwith the observed value. All of the bands corresponding to Se-Is, Se-4p, In-5s and In-5p states are separated completely one another and are comparatively flat reflectingthe general characteristics of layered materials with complex structure. The calculatedeffective masses in conduction and valence bands are considerably large, whose valuesare m.=1.1m, and m.=I.9m(, respectively. Further it is demonstrated that thecalculation of structure constants is very serious for materials with complex crystalstructure such as cv-In.Se,.InzSe, crystal, layered semiconductor, band calculation, KKR method
社団法人日本物理学会の論文
1991-04-15