Structure of tin-vacancy defects in silicon

• Tin-vacancy complexes Snn-Vm, n≤2, m≤2, are investigated by first-principles cluster and supercell methods. Their structures, spin-densities, electrical levels and formation energies are reported. It is found that the tin-vacancy interaction is short ranged and consequently the diffusion mechanism of Sn is somewhat different from that of the E-center.

Ämnesord

NATURVETENSKAP  -- Matematik -- Beräkningsmatematik (hsv//swe)

NATURAL SCIENCES  -- Mathematics -- Computational Mathematics (hsv//eng)

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Scientific Computing

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