Electron
transport characteristics of a novel wide band gap ternary carbide,
Al4SiC4, to be used for efficient power and
optoelectronic applications, are predicted using ensemble Monte Carlo
(MC) simulations. The MC simulations use a mixture of material parameters
obtained from density functional theory (DFT) calculations and experiment,
with a preference for the experimental data if they are known. The
DFT calculations predict a band gap of 2.48 eV, while the experimental
measurements give a band gap between 2.78 and 2.8 eV. We have found
that the electron effective mass in the two lowest valleys (M and K) is highly anisotropic; in the K valley, m
t
* = 0.5678 m
e and m
l
* = 0.6952 m
e, and for the M valley, m
t
* = 0.9360 m
e and m
l
* = 1.0569 m
e. We simulate electron
drift velocity and electron mobility as a function of applied electric
field as well as electron mobility as a function of doping concentration
in Al4SiC4. We predict a peak electron drift
velocity of 1.35 × 107 cm s–1 at
an electric field of 1400 kV cm–1 and a maximum
electron mobility of 82.9 cm2 V–1 s–1. We have seen diffusion constants of 2.14 cm2 s–1 at a low electric field and 0.25 cm2 s–1 at a high electric field. Finally,
we show that Al4SiC4 has a critical field of
1831 kV cm–1.