How to Evaluate Integrals in Tight Binding Model?

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SUMMARY

The discussion focuses on evaluating integrals within the context of the tight-binding model in solid-state physics. The energy of an electron is expressed using the formula E(k) = -α - γΣ_{m} exp(-ikρ_{m}), where α and γ are integrals that need to be determined. The wavefunction φ(x) is defined piecewise, and the evaluation of the integral γ requires careful consideration of the cases 2x_{0} ≤ ρ and 2x_{0} > ρ. The user seeks clarification on the definitions of φ_{m} and φ_{n}, as well as the significance of the variable ρ in relation to x_{0}.

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  • Understanding of the tight-binding model in solid-state physics
  • Familiarity with quantum mechanics, particularly eigenstates and Hamiltonians
  • Knowledge of integral calculus and its application in physics
  • Basic concepts of wavefunctions and their properties
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  • Learn about the evaluation of integrals in quantum mechanics, specifically in the context of wavefunctions
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Homework Statement



The energy of an electron within a band as a function of its wavevector is given by the
tight-binding expression (in one dimension),

E(k)=-\alpha-\gamma\Sigma_{m} exp (-ik\rho_{m})

(a)What are typical expressions for integrals \alpha and \gamma?
(b) Evaluate the integral \gamma for the following wavefunction, assuming it is an eigenstate of the Hamiltonian, being careful to distinguish the cases 2x_{0}\leq\rho and 2x_{0}>\rho:

\phi(x)=\sqrt{\frac{1}{2x_{0}}} |x|\leqx_{0}

\phi(x)=0 |x|>x_{0}

(c) Hence evaluate the energy of an electron in a linear chain of these atoms with a
spacing a and make a graph of the result for the two cases 2x0 a and 2x0 > a.

The Attempt at a Solution



\alpha=-<\phi_{n}|H|\phi_{n}>
\gamma=-<\phi_{m}|H|\phi_{n}>

But I cannot do part b) because I do not know what \phi_{m} and \phi_{n} are. All that I know is that sometimes n=m and sometimes it does not. Please help.
 
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What is \rho? Why does it matter whether \rho is bigger or smaller than x_{0}?
 

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