Browsing Advanced Materials for Micro- and Nano-Systems (AMMNS) by Author "Morgan, Dane"

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    • Vibrational thermodynamics: coupling of chemical order and size effects 

      van de Walle, Axel; Morgan, Dane; Wu, Eric; Ceder, Gerbrand (2002-01)
      We study the effects of vibrations in the Pd₃ system using first-principles pseudopotential calculations. We find that upon disordering from the DO₂₂ phase, the decreases by 0.07kB. We explain our results in terms of atomic ...