miskovsky-mrssp-468-463

Data for reference miskovsky-mrssp-468-463

Molecular-Dynamics Simulation of Transport in Diamond and GaN: Role of Collective Excitations

N.M. Miskovsky, P.B. Lerner, P.H. Cutler

Materials Research Society Symposium Proceedings 468, 463 (1997).

Below is the abstract submitted to the meeting, not the abstract of the published paper:
Experimental and theoretical studies of electron emission and transport in polar wide-band-gap electroluminescent semiconductors [1] suggest that hot electron and “quasiballistic“ transport are “characteristic“ of these materials. In this paper we examine theoretically similar properties for the wide-band-gap materials, covalent diamond, and the polar semiconductor GaN. Recently, Geis et al. demonstrated experimentally [2] and the present authors showed theoretically [3] that electrons can be injected by internal field emission into the conduction band at a metal- diamond interface. To study conduction band field-dependent transport effects in diamond and GaN, a molecular dynamics simulation of electron transport in the conduction band was performed. Electron-phonon (including acoustic, optical, and polar-optical), e-e, e-h, and e-pl interactions were included as well as non-equilibrium finite lifetime effects of phonons. Results indicate that diamond exhibits “quasi ballistic“ transport for fields up to 100 V/μm and film thicknesses up to 0.4 μm even for electron densities ∼10¹⁸ cm^-3. For GaN, initial results also indicate “quasiballistic“ transport for fields up to 100 V/μm; more pronounced ballistic-like transport is predicted for very thin films (0.01≤L≤0.1 μm). For thicker films, the energy transferred from the field is greater for diamond than for GaN. This is due to additional scattering by polar-optical phonons in GaN. For GaN, the energy spectrum has structure which is attributed to e-pl and polar optical interactions. Results suggest control of the energy distribution by appropriate choice of field and film thickness and use of energy filtering by the barrier at the substrate-semiconductor interface. †This work is supported with funding from the Ballistic Missile Defense organization and administered by the Office of Naval Research, Grant No. N00014-95-0905. [1] H. J. Fitting and A. Von Czarnowski, Phys. Stat. Sol. (a) 93, 385 (1986).
[2] M. W. Geis, J. C. Twichell, and T. M. Lyszczarz, JVST B14, 2060 (1996).
[3] P. Lerner, P. H. Cutler, and N. M. Miskovsky, to be published in J. de Phys. (1996).

This paper is part of Gallium Nitride and Related Materials II

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