LDA and GGA calculations for high-pressure phase transitions in ZnO and MgO

By J. Jaffe, J. A. Snyder, Zhong Lin, A. Hess. 2000

398 citations recorded by the source corpus.

Subfields: Geophysics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/5bdc701665ce0da5dd758a9305af5ff1e49c8422

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In Geophysics

1. Á. Rubio
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Citations in the corpus

• High‐pressure X‐ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape (2006, background): “Jaffe et al. (2000) predicted that the NaCl-type phase of ZnO will transform to a modification with a CsCl-type crystal structure at about 260 GPa, whereas Zaoui & Sekkal (2002) calculated a pressure of about 350 GPa for this transition.”
• High-pressure phases of group-IV, III–V, and II–VI compounds (2003, methodology): “The high-pressure behavior of ZnO has also attracted theoretical interest (Jaffe and Hess, 1993; Karzel et al., 1996; Recio et al., 1998; Jaffe et al., 2000).”