Pseudopotential approach to total energy calculations in narrow GAP semiconductors

  • Gianni Mula
6. Lattice Dynamics and Phase Transition
Part of the Lecture Notes in Physics book series (LNP, volume 152)


A new approximation is proposed for total energy calculations in semiconductors. The various contributions to the total energy are separately analyzed on the basis of a simple model of the interatomic interactions. The approximation allows a clear distinction to be made between a structure independent and a structure dependent part. The latter can be easily computed through the pseudopotential method while the former is obtained from electron gas theory.


Reciprocal Lattice Vector Order Perturbation Theory Band Calculation Total Energy Calculation PSEUDOPOTENTIAL Approach 
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Copyright information

© Springer-Verlag 1982

Authors and Affiliations

  • Gianni Mula
    • 1
  1. 1.Istituto di Fisica dell'Università di Cagliari Gruppo Nazionale di Struttura della Materia del C.N.R.CagliariItaly

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