Codoping of magnesium with oxygen in gallium nitride nanowires

Abstract

Codoping of p-type GaN nanowires with Mg and oxygen was investigated using first-principles calculations. The Mg becomes a deep acceptor in GaN nanowires with high ionization energy due to the quantum confinement. The ionization energy of Mg doped GaN nanowires containing passivated Mg-O complex decreases with increasing the diameter, and reduces to 300 meV as the diameter of the GaN nanowire is larger than 2.01 nm, which indicates that Mg-O codoping is suitable for achieving p-type GaN nanowires with larger diameters. The codoping method to reduce the ionization energy can be effectively used in other semiconductor nanostructures.

Thermal conductivity of bulk GaN—Effects of oxygen, magnesium doping, and strain field compensation

“…30 On the other hand, the Mg is assumed to enter in the lattice as a substitution of the Ga atoms. 30,31 The more favourable configurations for the Mg is forming Mg Ga -N vacancy complex, Mg-N, and, in presence of O, O N -Mg Ga complexes. [30][31][32] However, the O NMg Ga complex formation has been demonstrated experimentally and theoretically to be the most likely.…”

“…30,31 The more favourable configurations for the Mg is forming Mg Ga -N vacancy complex, Mg-N, and, in presence of O, O N -Mg Ga complexes. [30][31][32] However, the O NMg Ga complex formation has been demonstrated experimentally and theoretically to be the most likely. 31,33 The phonon scattering rate of the generated strain field, expressed by S 2 , is smaller for O N -Mg Ga complexes compared to the case of single O N impurity or O N -( Ga complex, as the average Pauling radius of the O N -Mg Ga complex is only $1% higher than that of the Ga-N 'molecule' (106 pm vs 105 pm); in contrast to an O N -( Ga complex or the single O N impurity which exhibits a Pauling radius that is $7% (97 pm vs 105 pm) lower.…”

Improved p-type conductivity in Al-rich AlGaN using multidimensional Mg-doped superlattices

“…Enormous efforts have been made to lower Mg activation energy so as to increase doping efficiency. The current state of available p -type growth techniques, including Mg–O 17 18 , Mg–Zn 19 , or Mg–Si co-doping 20 , delta doping 21 22 23 , polarization-induced hole doping 24 , and superlattice (SL) doping 25 26 27 28 29 , have been speculated to increase the hole concentration in GaN or low Al-content AlGaN films. However, stable p -type doping has yet to be experimentally established in Al-rich AlGaN.…”

Electronic properties of graded Ga 1‐x Al x N superlattice nanowires photocathode: First‐principles

“…The obtained GaN nanowires is surrounded by (100) facets. 16 [0001] oriented GaN nanowires is advantageous than nanowires with [10] and [11][12][13][14][15][16][17][18][19][20] orientation. 17,18 Nanowires with a diameter of 7.4, 9.8, and 12.8 Å are used as a comparative study under the premise of the availability of our computing equipment.…”

“…19 The lattice parameters of wurtzite GaN nanowires after optimization are a = 3.208 and c = 5.227 Å. 20 The surface of the nanostructure is usually unstable, and we usually use hydrogenated nanowires increase possibility of stability. 21 Herein, the hydrogenated Ga 1-x Al x N superlattice nanowires make local electrons near the Fermi level disappear, reducing the influence of surface electrons on electronic and optical performance.…”