Mechanism of p-type-to-n-type conductivity conversion in boron-doped diamond

We report on the role of two boron–hydrogen complexes in the conductivity conversion from p-type to n-type in boron-doped diamond samples. The calculated electronic structures of the simulated clusters show that the boron–hydrogen complex of hydrogen–boron pairs (BH1) is characteristic of p-type conductivity, and that of two hydrogen–boron centers (BH2) or three-hydrogen-boron centers (BH3) have a character of n-type conductivity. The phenomenon of conversion from p-type-to-n-type conductivity through deuteration may be explained by the transformation from the BH1 into BH2 and/or BH3 complexes.

[1]  J. Butler,et al.  Shallow donors with high n-type electrical conductivity in homoepitaxial deuterated boron-doped diamond layers , 2003, Nature materials.

[2]  C. Nebel.  From gemstone to semiconductor , 2003, Nature materials.

[3]  K. Osuch,et al.  Ab initio study of the passivation and interaction of substitutional impurities with hydrogen in diamond , 2003 .

[4]  M. Heggie,et al.  Theory of hydrogen in diamond , 2002 .

[5]  J. Adler,et al.  Lowest-energy site for hydrogen in diamond , 2000 .

[6]  M. Stutzmann,et al.  Passivation of boron in diamond by deuterium , 1999 .

[7]  A. Deneuville,et al.  Hydrogen-boron interactions in p-type diamond , 1998 .

[8]  Haas,et al.  Multiple trapping of hydrogen in antimony-doped silicon. , 1994, Physical Review Letters.

[9]  J. Mort,et al.  Infrared absorption in boron‐doped diamond thin films , 1991 .

[10]  A. Becke,et al.  Density-functional exchange-energy approximation with correct asymptotic behavior. , 1988, Physical review. A, General physics.

[11]  J. Perdew,et al.  Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation. , 1986, Physical review. B, Condensed matter.

[12]  S. H. Vosko,et al.  Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis , 1980 .

[13]  S D Smith,et al.  Optical Phonon Effects in the Infra-red Spectrum of Acceptor Centres in Semiconducting Diamond , 1962 .