Relation between the electronic states and structural properties of Hg1−xCdxTe
作者:
A.‐B. Chen,
A. Sher,
W. E. Spicer,
期刊:
Journal of Vacuum Science&Technology A: Vacuum, Surfaces, and Films
(AIP Available online 1983)
卷期:
Volume 1,
issue 3
页码: 1674-1677
ISSN:0734-2101
年代: 1983
DOI:10.1116/1.572255
出版商: American Vacuum Society
关键词: chemical bonds;band structure;energy gap;electronic structure;conduction bands;surface treatments;mercury tellurides;cadmium tellurides;valence bands;mobility;microstructure
数据来源: AIP
摘要:
Physical reasons are presented for the coherent potential approximation (CPA) calculation method’s abillity to predict little band gap bowing or alloy scattering, while at the same time predicting large deviation from virtual crystal behavior in other energy ranges. Accurate treatment of structural properties requires that calculations be doubly self‐consistent: a density functional method plus CPA is needed. Experimental values of bond energies are greater than those predicted by simple theories. Weakened HgTe bonds in alloys help to explain the loss of Hg when the materials undergo surface treatments.
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