Crystal structures and band gap characters of h-BN polytypes predicted by the dispersion corrected DFT and GW method

[1]  Lizhong Sun,et al.  Electronic structures and optical properties of hexagonal boron nitride under hydrostatic pressures , 2011 .

[2]  Stefan Goedecker,et al.  ABINIT: First-principles approach to material and nanosystem properties , 2009, Comput. Phys. Commun..

[3]  A. Tkatchenko,et al.  Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data. , 2009, Physical review letters.

[4]  T. Jenkins,et al.  Determination of the optical band-gap energy of cubic and hexagonal boron nitride using luminescence excitation spectroscopy , 2008 .

[5]  L. Hector,et al.  Planar stacking effect on elastic stability of hexagonal boron nitride , 2007 .

[6]  Friedhelm Bechstedt,et al.  Semiempirical van der Waals correction to the density functional description of solids and molecular structures , 2006 .

[7]  Matt Probert,et al.  First principles methods using CASTEP , 2005 .

[8]  Takashi Taniguchi,et al.  Direct-bandgap properties and evidence for ultraviolet lasing of hexagonal boron nitride single crystal , 2004, Nature materials.

[9]  Lei Liu,et al.  Structural and electronic properties ofh-BN , 2003 .

[10]  J. E. Lowther,et al.  Relative stability of cubic and different hexagonal forms of boron nitride , 2002 .

[11]  F. Bechstedt,et al.  Pressure‐ and Strain‐Dependent Quasiparticle Energies of Cubic, Wurtzite and Hexagonal BN , 2000 .

[12]  Cohen,et al.  Quasiparticle band structure of bulk hexagonal boron nitride and related systems. , 1995, Physical review. B, Condensed matter.

[13]  Hafner,et al.  Ab initio calculation of the structural and electronic properties of carbon and boron nitride using ultrasoft pseudopotentials. , 1994, Physical review. B, Condensed matter.

[14]  Ching,et al.  Calculation of ground-state and optical properties of boron nitrides in the hexagonal, cubic, and wurtzite structures. , 1991, Physical review. B, Condensed matter.

[15]  M. Schlüter,et al.  Self-energy operators and exchange-correlation potentials in semiconductors. , 1988, Physical review. B, Condensed matter.

[16]  Louie,et al.  Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies. , 1986, Physical review. B, Condensed matter.

[17]  P. Eklund,et al.  Optical properties of pyrolytic boron nitride in the energy range 0.05-10 eV , 1984 .

[18]  A. Katzir,et al.  Optical properties of hexagonal boron nitride , 1976 .

[19]  D. Kolar,et al.  Optical properties of graphite and boron nitride , 1972 .

[20]  C. H. Perry,et al.  Normal Modes in Hexagonal Boron Nitride , 1966 .

[21]  Harry G. Drickamer,et al.  Effect of High Pressure on the Lattice Parameters of Diamond, Graphite, and Hexagonal Boron Nitride , 1966 .