Enhancement of TE polarized light extraction efficiency in nanoscale (AlN)m /(GaN)n (m>n) superlattice substitution for Al-rich AlGaN disorder alloy: ultra-thin GaN layer modulation

Abstract

The problem of achieving high light extraction efficiency in Al-rich Al _x Ga $_{1-x}$ N is of paramount importance for the realization of AlGaN-based deep ultraviolet (DUV) optoelectronic devices. To solve this problem, we investigate the microscopic mechanism of valence band inversion and light polarization, a crucial factor for enhancing light extraction efficiency, in Al-rich Al _x Ga $_{1-x}$ N alloy using the Heyd–Scuseria–Ernzerhof hybrid functional, local-density approximation with 1/2 occupation, and the Perdew–Burke–Ernzerhof functional, in which the spin–orbit coupling effect is included. We find that the microscopic Ga-atom distribution can effectively modulate the valence band structure of Al-rich Al _x Ga $_{1-x}$ N. Moreover, we prove that the valence band arrangement in the decreasing order of heavy hole, light hole, and crystal-field split-off hole can be realized by using nanoscale (AlN) _m /(GaN) _n ( m > n ) superlattice (SL) substituting for Al-rich Al _x Ga $_{1-x}$ N disorder alloy as the active layer of optoelectronic devices due to the ultra-thin GaN layer modulation. The valence band maximum, i.e., the heavy hole band, has p _x - and p _y -like characteristics and is highly localized in the SL structure, which leads to the desired transverse electric (TE) polarized ( E ⊥ c ) light emission with improved light extraction efficiency in the DUV spectral region. Some important band-structure parameters and electron/hole effective masses are also given. The physical origin for the valence band inversion and TE polarization in (AlN) _m /(GaN) _n SL is analyzed in depth.

Keywords

• valence band inversion
• spin–orbit coupling
• electronic structure
• optical property
• first-principles calculation
• 78.66.Fd