Electronic transport properties in metal doped beta-Ga2O3: A first principles study

In order to evaluate the influence of acoustic phonon scattering on electron mobility in β -Ga2O3, electronic structure and transport properties were analyzed under the frame of deformation potential and relaxation time approximation. First-principles calculations were carried out, to calculate band structure, density of states, effective mass, and analyzed transport properties in intrinsic and metal doped β -Ga2O3. The electron mobility caused by acoustic phonon (AC) scattering mechanism was taken into consideration. The result suggested that electron mobility is determined by deformation potential and effective mass, and mainly depend on deformation potential parameter. Furthermore, the calculated value of electron mobility in most metal atom doped structures have a great increase compared with pristine β -Ga2O3, and electron mobility shown prominent anisotropy in metal doped Ga2O3, especially electron mobility along [100] direction in copper doped β -Ga2O3 is an order of magnitude larger than that of intrinsic β -Ga2O3. This work confirmed the AC scattering is a non-negligible mechanism which limit the electron mobility in Ga2O3 system, and will provide a favorable reference for the further application of β -Ga2O3 in electronic and optoelectronic devices.