Displacements of Atoms • Positions of atoms in their perfect lattice positions are given by: R0(n1, n2, n3) = n10 x + n20 y + n30 z For simplicity

here we consider only one atom per cell and assume an orthogonal coordinate system z y x For convenience let ni = (ni10, ni20, ni30 ) denote atom i which has position R0i • The displacement of atom i can be written ∆Ri = ui x + vi y + wi z=(n1i- n1i0) x + (n2i- n2i0) y+ (n3i- n3i0) z

Sign up to vote on this title
UsefulNot useful