Semi-classical electronic transport properties of ternary compound AlGaAs₂: role of different scattering mechanisms

Abstract

We present a comprehensive investigation of semi-classical transport properties of n-type ternary compound AlGaAs 2 , using Rode's iterative method. Four scattering mechanisms, have been included in our transport calculation, namely, ionized impurity, piezoelectric, acoustic deformation and polar optical phonon (POP). The scattering rates have been calculated in terms of ab-initio parameters. We consider AlGaAs 2 to have two distinct crystal geometries, one in tetragonal phase (space group: 4 2 p m ), while the other one having body centered tetragonal crystal structure (space group: 42 I d ). We have observed higher electron mobility in the body centered tetragonal phase, thereby making it more suitable for high mobility device application, over the tetragonal phase. In order to understand the differences in electron moblities for these two phases, curvatures of the E-k graph of the conduction bands for these phases have been compared. At room temperature, the dominant contribution in electron mobility was found to be provided by inelastic POP scattering. We have also noted that mobility is underestimated in relaxation time approximation as compared with the Rode's iterative approach.

Analysis of ternary AlGaX2(X = As, Sb) compounds for opto-electronic and renewable energy devices using density functional theory

“…¯We have compared our calculated bandgap of AlGaAs 2 compound with the available Tetragonal (p m 4 2 ¯) with band gap 0.99 eV [53] and body centered tetragonal (I d 42 ¯) phase with a gap of 0.86 eV [53]. Interestingly, our calculated band gap is significantly higher (1.40 eV) for AlGaAs 2 and no literature available for comparison of AlGaSb 2 .…”

Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics

“…The relaxation times and the scattering rates for these scattering are calculated by the methods as implemented in the AMMCR code. 76–78 Further details can be found in ref. 79.…”

“…The relaxation times and the scattering rates for these scattering are calculated by the methods as implemented in the AMMCR code. [76][77][78] Further details can be found in ref. 79. To evaluate relaxation times, the ab initio inputs are obtained via GGA+U 80 calculations where the U parameters of elements were chosen such that the band gaps became equivalent to those obtained from the HSE06 calculations that is as follows for Sc 2 SC (U Sc = 3.7 eV), Y 2 SC (U Y = 5.5 eV), Sc 3 AuC 2 (U Sc = 2.6 eV, U Au = 10 eV) and Y 3 AuC 2 (U Au = 10.5 eV).…”

Advancing carrier transport models for InAs/GaSb type-II superlattice MWIR photodetectors

“…By solving Eqs. ( 5) and ( 6), the perturbation term g(k), can be calculated as [32,34,61,62] where E = |E|, and g i (k) appears on both sides of Eq. ( 7).…”