Abstract
Systematic theoretical investigations are carried out under the density functional formalismin an effort to understand the initial structural evolution due to the adsorption of ZnTe onAs-exposed Si(211). Our calculations indicate that after the adsorption of Zn and Te on theAs-exposed Si(211), the stable atomic structure qualitatively follows the ideal atomicstructure of Si(211) with alteration of various bond lengths. Since the basic symmetry ofthe Si(211) is preserved after the adsorption of ZnTe, the deposition of ZnTe on the Asterminated Si(211) prior to the deposition of CdTe and HgCdTe is useful for obtaining anultimate quality layer of HgCdTe on Si(211). Some of our results are compared with theavailable experimental results, and they are found to agree with each other qualitatively.
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