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Understanding complex correlations between the macroscopic device performance and the contact formation on the atomic level in CdZnTe radiation detectors remains an enormous challenge. In this work, an effort towards bridging that macro-nano knowledge gap is made by systematic study of the electronic structures in the interface of Al/CdZnTe(111)A and Al/CdZnTe(111)B with Al coverage from sub-monolayer to multilayers using photoemission spectroscopy. Remarkable difference of the electronic states was found in these two interfaces. A strong interaction between Al and CdZnTe(111)A was observed at room temperature and thick interface layers (>12 nm) formed. In contrast, an intermix layer with a thickness of about one atomic layer (∼0.3 nm) was formed at Al/CdZnTe(111)B interface.

The work functions of CdZnTe single crystal with different surface states were measured using synchrotron radiation photoemission spectroscopy. The work function of CdZnTe after mechanical and chemical polishing is higher than that of clean and ordered surface. The damage layer deduced by Ar ion sputtering increases the work function. The Te adatoms of the CdZnTe (111)B (2×2) reconstruction form the interface dipole and increase the work function. The effects of H2O adsorption and Au evaporation on the work function of CdZnTe were investigated. The relationships among work function, surface dipole, valence band bending, ionization energy, and electron affinity of CdZnTe with different surface states were discussed.