Towards B-doped p-BaSi2 films on Si substrates by co-sputtering of BaSi2, Ba, and B-doped Si targets

BaSi2 is one of the emerging materials for thin-film solar cell applications; hence the conductivity control by impurity doping is of great importance. The formation of B-doped p-BaSi2 films has been achieved by molecular beam epitaxy and vacuum evaporation. We fabricated B-doped BaSi2 films on Si substrates at 600 degrees C by co-sputtering BaSi2, Ba, and B-doped Si targets, followed by post-annealing at 900 degrees C or 1000 degrees C for 5 min in an Ar atmosphere. Contrary to expectations, as-grown sample and the sample annealed at 900 degrees C showed n-type conductivity, while the sample annealed at 1000 degrees C showed p-type conductivity. The reason for the n-type conductivity was discussed based on first-principles calculation considering the presence of oxygen atoms in the order of 10(21 )cm(-3). The n-type conductivity for B-doped BaSi2 is possible only when both the B and O atoms being a substitution impurity are in the same Si-4 tetrahedron.

Automated summary

BaSi2 is an important material for thin-film solar cell applications and the control of conductivity through impurity doping is crucial. B-doped p-BaSi2 films were successfully fabricated by molecular beam epitaxy and vacuum evaporation. In this study, B-doped BaSi2 films were prepared on Si substrates by co-sputtering BaSi2, Ba, and B-doped Si targets at 600 degrees C, followed by post-annealing at 900 degrees C or 1000 degrees C in an Ar atmosphere. Surprisingly, as-grown and 900 degrees C annealed samples exhibited n-type conductivity, while the 1000 degrees C annealed sample showed p-type conductivity. The possibility of n-type conductivity in B-doped BaSi2 was discussed based on first-principles calculations considering the presence of oxygen atoms.