New Ab Initio Based Pair Potential for Accurate Simulation of Phase Transitions in ZnO

The Journal of Physical Chemistry C

DOI: 10.1021/jp411308z

Shuaiwei Wang, Zhaochuan Fan, Rik S. Koster, Changming Fang, Marijn A. van Huis, Anil O. Yalcin, Frans D. Tichelaar, Henny W. Zandbergen and Thijs J. H. Vlugt

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