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• W2070810643 abstract "The question of atomic and electronic structure of grain boundaries in Si is addressed within the tight-binding approximation with a self-consistent charge neutrality condition. The authors use simultaneous recursion in real space to calculate inter-atomic forces and relax reconstructions of Sigma =3(112) and Sigma =5(130) grain boundaries. Consequences of over- and under-coordination at defects are illustrated, and relaxed atomic structures are compared with recent lattice imaging and electron diffraction experiments." @default.
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• W2070810643 date "1988-05-30" @default.
• W2070810643 modified "2023-09-26" @default.
• W2070810643 title "A simple theoretical approach to grain boundaries in silicon" @default.
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• W2070810643 doi "https://doi.org/10.1088/0022-3719/21/15/001" @default.
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