Thermodynamic stability of boron: the role of defects and zero point motion.

@article{vanSetten2007ThermodynamicSO,
  title={Thermodynamic stability of boron: the role of defects and zero point motion.},
  author={Michiel J. van Setten and Matth{\'e} Uijttewaal and Gilles A. de Wijs and Robert A de Groot},
  journal={Journal of the American Chemical Society},
  year={2007},
  volume={129 9},
  pages={
          2458-65
        }
}
Its low weight, high melting point, and large degree of hardness make elemental boron a technologically interesting material. The large number of allotropes, mostly containing over a hundred atoms in the unit cell, and their difficult characterization challenge both experimentalists and theoreticians. Even the ground state of this element is still under discussion. For over 30 years, scientists have attempted to determine the relative stability of alpha- and beta-rhombohedral boron. We use… 

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