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The Crystal Lattice System
                             For silicon, this model works well with the following parameters:
                             G =  7.0495563  ,  H =  0.60222456  ,  p =  , 4  q =  , 0  λ =  21  ,
                             γ =  1.2  , the cut-off radius  c =  1.8  , the “lattice” constant
                                                                          – 19
                                                                              ⁄
                             a =  0.20951nm   and the bond energy  E =  6.9447×10  J ion  . Note
                             that in the above r =  r –  r  .
                                           ij   i   j
                Linearization  We assume that the atoms of the crystal always remain in the vicinity of
                             their lattice positions, and that the distance they displace from these posi-
                             tions is “small” when measured against the lattice constant  a  , see
                             Figure 2.18. This is a reasonable assumption for a solid crystal at typical



                                                           k
                                                                   u
                                                                    k
                                                                           r =  R +  u
                                                                            k    k   k

                                                                   R k
                                          i









                Figure 2.18. Instantaneous snapshot of the atom positions of a regular square lattice with
                respect to their average lattice site positions. On the right is shown the relation between
                the lattice position vector R  , the atom position vector r   and the atom displacement
                                      k                      k
                vector u   for atom k. The shading around atom i indicates how the inter-atom interaction
                      k
                strength falls off as a function of distance.


                             operating temperatures; the covalent and ionic bonds are found to be
                             strong enough to make it valid.








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