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The Born–Landé equation is a means of calculating the lattice energy of a crystalline ionic compound.In 1918 [1] Max Born and Alfred Landé proposed that the lattice energy could be derived from the electrostatic potential of the ionic lattice and a repulsive potential energy term.
In a one-dimensional lattice the number of reciprocal lattice vectors that determine the bands in an energy interval is limited to two when the energy rises. In two and three dimensional lattices the number of reciprocal lattice vectors that determine the free electron bands () increases more rapidly when the length of the wave vector increases ...
Here is the one-body term, the two-body term, the three body term, the number of atoms in the system, the position of atom , etc. , and are indices that loop over atom positions. Note that in case the pair potential is given per atom pair, in the two-body term the potential should be multiplied by 1/2 as otherwise each bond is counted twice ...
Hydrogen-like atoms (a nucleus and an electron) allow for closed-form solution to Schrödinger equation with the electrostatic potential (the Coulomb law). The Schrödinger equation of atoms or atomic ions with more than one electron has not been solved analytically, because of the Coulomb interactions among electrons.
The calculated lattice energy gives a good estimation for the Born–Landé equation; the real value differs in most cases by less than 5%. Furthermore, one is able to determine the ionic radii (or more properly, the thermochemical radius) using the Kapustinskii equation when the lattice energy is known.
In chemistry, the lattice energy is the energy change upon formation of one mole of a crystalline ionic compound from its constituent ions, which are assumed to initially be in the gaseous state. It is a measure of the cohesive forces that bind ionic solids.
If the ions each contribute one electron, then the band will be half-filled, up to values of = / in the ground state. Peierls distortion of a 1-d periodic lattice. Imagine a lattice distortion where every other ion moves closer to one neighbor and further away from the other, the unfavourable energy of the long bond between ions is outweighed ...
The Born–Mayer equation is an equation that is used to calculate the lattice energy of a crystalline ionic compound.It is a refinement of the Born–Landé equation by using an improved repulsion term.