[6] [6] Lu C, Wang Z L, Xu L F. The metallicity of B-doped diamond surface by first-principles study[J].Diamond & Related Materials,2010,19:824-828.

[7] [7] Ashcheulov P, Sebera J, Kovalenko A, et al. Conductivity of boron-doped polycrystalline diamond films:influence of specific boron defects[J].Eur.Phys.J.B,2013,86:443.

[8] [8] Hsieh H H, Chang Y K, Pong W, et al. X-ray-absorption studies of boron-doped diamond films[J].Applied Physics Letters,1999,75:2229-2231.

[9] [9] Ken O, Satoshi K, Ravi P, et al. Low-threshold cold cathodes made of nitrogen-doped chemical-vapor-deposited diamond[J].Nature,1996,381:140-141.

[10] [10] Regemorter V T, Larsson K. A Theoretical study of nitrogen-induced effects on initial steps of diamond CVD growth[J].Chem. Vap. Deposition,2008,14:224-231.

[11] [11] Ekimov E A, Sidorov V A, Bauer E D, et al. Superconductivity in diamond[J].Nature,2004,428:542-545.

[14] [14] Zou Y M, Larsson K. Effect of boron doping on the CVD growth rate of diamond[J].J.Phys.Chem.C,2016,120:10658-10666.

[15] [15] Li T F, Liu T M, Wei H M, et al. First-principles calculations of the twin boundary energies and adhesion energies of interfaces for cubic face-centered transition-metal nitrides and carbides[J].Applied Surface Science,2015, 355:1132-1135.

[17] [17] An X Z, Liu G Q, Wang F Z, et al. Electronic structure study of growth species adsorption and reaction on cluster models for the diamond surface using LDA method[J].Diamond and Related Materials,2003,12:2169-2174.

[18] [18] Ullah M, Ahmed E, Hussain F, et al. Electrical conductivity enhancement by boron-doping in diamond using first principle calculations[J].Applied Surface Science,2015,334:40-44.

[21] [21] Petrini D, Larsson K. Theoretical study of the thermodynamic and kinetic aspects of terminated (111) diamond surfaces[J].J.Phys.Chem.C,2008,112:3018-3026.

[22] [22] Karlsson J, Larsson K. Kinetic considerations of gas-phase adsorption of growth species on the c-BN(100) surface[J].Thin Solid Films,2014,564:246-252.

[24] [24] Chen B S, Li Y Z, Guan X Y, et al. First-principles study of structural, elastic and electronic properties of ZrIr alloy[J].Computational Materials Science,2015,105:66-70.

[28] [28] Karlsson J, Larsson K. Hydrogen-induced de/reconstruction of the c-BN(100) surface[J].J. Phys. Chem. C, 2010,114:3516-3521.

[30] [30] Regemorter V T, Larsson K. Effect of substitutional N on the diamond CVD growth process:A theoretical approach[J].Diamond & Related Materials,2008,17:1076-1079.