By using high-resolution transmission electron microscopy, first-principles density-functional total-energy calculations and image simulations, a study was made of the atomic structure and the effects of double-positioning twin boundaries. The structure of the double-positioning twin boundaries was found to contain more Te dangling bonds than Cd dangling bonds, and the 2 sides of the boundaries had the same polarity. The
structure produced energy states in the band-gap that were detrimental to electronic properties.

Structure and Effects of Double-Positioning Twin Boundaries in CdTe. Y.Yan, M.M.Al-Jassim, K.M.Jones: Journal of Applied Physics, 2003, 94[5], 2976-9