Elasticity, Lattice Dynamics and Parameterisation Techniques for the Tersoff Potential Applied to Elemental and Type III-V Semiconductors Bands I Useta Like IV whom Teddy has been able

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Elasticity, Lattice Dynamics and Parameterisation Techniques for the Tersoff Potential Applied to Elemental and Type III-V Semiconductors Bands I Useta Like IV whom Teddy has been ableThis thesis details the techniques used in constructing a library of improved parameters for the Tersoff bond order potential energy model which is used in atomistic modelling applications. The parameters presented here are for the elemental type IV diamond structure semiconductors and the binary III As, III P, III Sb and the cubic III N compound semiconductors. The parameters are fitted to a number of experimental and DFT predicted properties of the