The equilibrium state of hydrogen in gallium nitride: Theory and experiment
- Sandia National Laboratories
Formation energies and vibrational frequencies for H in wurtzite GaN were calculated from density functional theory and used to predict equilibrium state occupancies and solid solubilities for p-type, intrinsic, and n-type material. The solubility of deuterium (D) was measured at 600--800 C as a function of D{sub 2} pressure and doping and compared with theory. Agreement was obtained by reducing the H formation energies 0.2 eV from ab-initio theoretical values. The predicted stretch-mode frequency for H bound to the Mg acceptor lies 5% above an observed infrared absorption attributed to this complex. It is concluded that currently recognized H states and physical processes account for the equilibrium behavior of H examined in this work.
- Research Organization:
- Sandia National Labs., Albuquerque, NM (US)
- Sponsoring Organization:
- US Department of Energy (US)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 754318
- Report Number(s):
- SAND2000-0938J; 0000035113-000; 0000035113-000
- Journal Information:
- Journal of Applied Physics, Journal Name: Journal of Applied Physics
- Country of Publication:
- United States
- Language:
- English
Similar Records
Diffusion, release, and uptake of hydrogen in magnesium-doped gallium nitride: Theory and experiment
Hydrogen, acceptors, and H-acceptor complexes in GaN