The influence of the Cu doping position on GaAs: First-principles calculations

Ma, Deming; Cheng, Jun-ni; Zhang, Jinlong; Cao, Yanyan; Li, Enling

doi:10.1016/j.mtcomm.2020.101549

Cited by 5 publications

(4 citation statements)

References 17 publications

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“…The emission peak at 410 nm is caused by the donor level near the valence band, providing electrons to recombine with the holes provided by the acceptor level, wherein the donor level is formed by V O , and the acceptor level is formed by V Ga -V O . − We also observed a red emission at 710 nm in our CL results, which is because of the doping Cu ions. The acceptor level formed by doping Cu is close to the forbidden band, , so the radiation transition emits red photons when the electrons provided by the donor level are combined with the holes provided by the acceptor level.…”

Section: Resultsmentioning

confidence: 99%

“…Since the valence electron energy level of Cu + is close to the 2p energy level of O, p-type oxide semiconductors can be realized by Cu doping. 9,10 By introducing Cu into gallium oxide, a shallow acceptor energy level can be created, thus enabling the synthesis of p-type Ga 2 O 3 . 11 However, there are rare reports on the preparation of Cudoped β-Ga 2 O 3 nanoarrays by chemical vapor deposition (CVD).…”

Section: ■ Introductionmentioning

confidence: 99%

“…One approach to achieve this is through copper (Cu) doping. Since the valence electron energy level of Cu + is close to the 2p energy level of O, p-type oxide semiconductors can be realized by Cu doping. , By introducing Cu into gallium oxide, a shallow acceptor energy level can be created, thus enabling the synthesis of p-type Ga 2 O 3 …”

Section: Introductionmentioning

confidence: 99%

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Epitaxial Growth of p-Type Cu-Doped Ga₂O₃ Nanoarrays on MgO Substrates

Zhu,

Yan,

Tian

et al. 2024

Crystal Growth & Design

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This study reports the successful growth of aligned Cu-doped β-Ga2O3 nanoarrays using the chemical vapor deposition (CVD) method. A MgO substrate was employed for epitaxial growth of Ga2O3 due to the lower lattice mismatch compared to sapphire and silicon. The morphology, growth mechanism, and optical and photoelectrochemical properties of Cu-doped β-Ga2O3 nanoarrays were thoroughly characterized. The experimental results indicate that doped Cu exists in the form of monovalent cuprous ions Cu+. Additionally, the β-Ga2O3 nanoarrays will exhibit p-type semiconductor properties after Cu doping at certain conditions. Therefore, this material has great potential for applications, particularly in the fields of photoelectrocatalysis and photoluminescence. These research findings provide an important reference for expanding the new application areas of Ga2O3.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

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Epitaxial Growth of p-Type Cu-Doped Ga₂O₃ Nanoarrays on MgO Substrates

Zhu,

Yan,

Tian

et al. 2024

Crystal Growth & Design

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“…In our calculation, the Cambridge Serial Total Energy Package (CASTEP) based on DFT [14] is used. Adopting the generalized gradient approximation (GGA) scheme put forward by Perdew, Burke and Ernzerhof (PBE) [15] to optimize the Zn doping structures. The cutoff energy of the plane wave is 400 eV.…”

Section: Introductionmentioning

confidence: 99%

Research on optoelectronic properties of Zn doped In0.875Ga0.125As0.25P0.75

Wang

Zhang

et al. 2023

Ninth Symposium on Novel Photoelectronic Detection Technology and Applications

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InGaAsP photocathodes show great potential for near-infrared applications, particularly at 1.06 μm. In order to study the influence of Zn doping on the optoelectronic properties of In0.875Ga0.125As0.25P0.75, models of In0.875Ga0.125As0.25P0.75, In0.84375Ga0.125Zn0.03125As0.25P0.75 and In0.875Ga0.09375Zn0.03125As0.25P0.75 were constructed. The band structure, formation energy, Mulliken population and optical properties of the Zn doping crystals were calculated from first-principles. Results show that Zn doping reduces the stability of In0.875Ga0.125As0.25P0.75, and In atom is more inclined to be replaced by Zn atom due to In0.84375Ga0.125Zn0.03125As0.25P0.75 has the lower formation energy than In0.875Ga0.09375Zn0.03125As0.25P0.75. The covalency of In-As, In–P and GaP bonds is enhanced due to the Zn atom replacing In atom, but Zn atom replaces Ga atom only increases the covalency of Ga-P bond. After Zn doping, the Fermi levels of In0.84375Ga0.125Zn0.03125As0.25P0.75 and In0.875Ga0.09375Zn0.03125As0.25P0.75 appear in the valence band, indicating that they show p-type properties. Zn atom replacing In atom increases the bandgap, but Zn atom replacing Ga atom is just opposite. Compared to In0.875Ga0.125As0.25P0.75, doping Zn improves the carrier concentrations, causing the increase of valence band holes which are closely related to conductive behavior of Zn doped crystals. The optical properties of In0.84375Ga0.125Zn0.03125As0.25P0.75 and In0.875Ga0.09375Zn0.03125As0.25P0.75 are almost the same. The substitution of Zn atom for In or Ga atom in In0.875Ga0.125As0.25P0.75 improves the electron transition and increases the absorption coefficient in low energy side, but the metal reflective region shifts to lower energy side.

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