F. Patrick Doty

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We use a new, quantum-mechanics-based bond-order potential (BOP) to reveal melt growth dynamics and fine scale defect formation mechanisms in CdTe crystals. Previous molecular dynamics simulations of semiconductors have shown qualitatively incorrect behavior due to the lack of an interatomic potential capable of predicting both crystalline growth and(More)
Cd 1‑x Zn x Te (CZT) crystals are the leading semiconductors for radiation detection, but their application is limited by the high cost of detector-grade materials. High crystal costs primarily result from property nonuniformity that causes low manufacturing yield. Although tremendous efforts have been made in the past to reduce Te inclusions/precipitates(More)
—Strengthening the crystal lattice of lanthanide halides, which are brittle, anisotropic, ionic crystals, may prove to increase the availability and ruggedness of these scintillators for room-temperature gamma-ray spectroscopy applications. Eight aliovalent dopants for CeBr 3 were explored in an effort to find the optimal aliovalent strengthening agent. the(More)
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