Data for reference min-prb-45-1159

First-principles total-energy calculation of gallium nitride

B. J. Min, C. T. Chan, K. M. Ho

Physical Review B 45(3), 1159 (1992).

A first-principles total-energy calculation is performed on gallium nitride (GaN). The equilibrium lattice parameters, the bulk modulus, and the cohesive energy of GaN in the wurtzite structure is calculated and compared with experimental values. In our calculation, the ground state of GaN is a zinc-blende structure, and the difference between these two phases is around 1.4 mRy.

This item is cited by the following items in the database:

  1. GaN, AlN, and InN: A review
  2. Electronic band structures and effective-mass parameters of wurtzite GaN and InN

Contributed by S. Strite
Modified by Andrei Nikolaev from shuttle.ioffe.rssi.ru

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