Structures, stability, mechanical and electronic properties of α-boron and α*-boron
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[1] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.
[2] B. Post,et al. A new polymorph of boron , 1960 .
[3] G. Kresse,et al. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .
[4] Yanming Ma,et al. Ionic high-pressure form of elemental boron , 2009, Nature.
[5] R. Hill. The Elastic Behaviour of a Crystalline Aggregate , 1952 .
[6] D. Wallace,et al. Thermodynamics of Crystals , 1972 .
[7] Hui-Tian Wang,et al. Large shear strength enhancement of gamma-boron by normal compression , 2011 .
[8] G. Kresse,et al. From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .
[9] B. Douglas,et al. Structure and Chemistry of Crystalline Solids , 2006 .
[10] J. Kasper,et al. A NEW CRYSTALLINE MODIFICATION OF BORON , 1958 .
[11] Blöchl,et al. Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.
[12] Yusheng Zhao,et al. First-principles prediction of mechanical properties of gamma-boron , 2009 .
[13] R. Hughes,et al. The Structure of -Rhombohedral Boron , 1963 .
[14] D. Sands,et al. RHOMBOHEDRAL ELEMENTAL BORON , 1957 .
[15] A. R. Oganov,et al. On the hardness of a new boron phase, orthorhombic γ-B28 , 2008 .
[16] R. H. Wentorf. Boron: Another Form , 1965, Science.
[17] Yoshiyuki Kawazoe,et al. First-Principles Determination of the Soft Mode in Cubic ZrO 2 , 1997 .
[18] H. Niu,et al. Electronic, optical, and mechanical properties of superhard cold-compressed phases of carbon , 2011 .
[19] K. Ploog,et al. Crystal structure of tetragonal boron related to α-AlB12 , 1979 .
[20] Chris J Pickard,et al. Ab initio random structure searching , 2011, Journal of physics. Condensed matter : an Institute of Physics journal.
[21] M. Born,et al. Dynamical Theory of Crystal Lattices , 1954 .
[22] A. R. Oganov,et al. Boron: a hunt for superhard polymorphs , 2009 .
[23] Wang,et al. Accurate and simple analytic representation of the electron-gas correlation energy. , 1992, Physical review. B, Condensed matter.
[24] J. Nye. Physical Properties of Crystals: Their Representation by Tensors and Matrices , 1957 .