Approach to achieving a<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>p</mml:mi></mml:math>-type transparent conducting oxide: Doping of bismuth-alloyed<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Ga</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>with a strongly correlated band edge state

Cai, Xuefen; Sabino, Fernando P.; Janotti, Anderson; Wei, Su‐Huai

doi:10.1103/physrevb.103.115205

Cited by 32 publications

(18 citation statements)

References 38 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Taking as examples oxides and nitrates, it is known that they are very difficult to be doped as p-type because the valence band (composed by O or N p orbitals) lies very deep in energy, which also can induce the formation of small polarons. 22,[47][48][49] For halide perovskites based on Cl the band gap is wide, leading to an unfavorable position for both valence band and conduction bands. This is the worst scenario among all the HP's discussed here.…”

Section: B Extrinsic N-type Impurity Dopantsmentioning

confidence: 99%

Intrinsic doping limitations in inorganic lead halide perovskites

2022

Self Cite

View full text Add to dashboard Cite

show abstract

Section: B Extrinsic N-type Impurity Dopantsmentioning

confidence: 99%

Intrinsic doping limitations in inorganic lead halide perovskites

2022

Self Cite

View full text Add to dashboard Cite

show abstract

“…Therefore, we can address the detached band to a polaronic nature. The formation of a detached band is observed in other alloys of oxides, such as In 2 O 3 with Bi, even though in that case the nature of the detached band is not a polaronic one [35,36]. Also, intermediate bands play important roles in anti-doping processes in quantum materials [37], and have also been proposed for the construction of high efficiency solar cells.…”

Section: Source Of P-type Conductivitymentioning

confidence: 99%

Hole conductivity through a defect band in $\rm ZnGa_2O_4$

Sabino¹,

Chatratin²,

Janotti³

et al. 2022

Preprint

Self Cite

View full text Add to dashboard Cite

Semiconductors with wide band gap (> 3.0 eV), high dielectric constant (> 10), good thermal dissipation, and capable of n and p-type doping are highly desirable for high-energy power electronic devices. Recent studies indicate that ZnGa 2 O 4 may be suitable for these applications, standing out as an alternative to Ga 2 O 3 . The simple face centered cubic spinel structure of ZnGa 2 O 4 results in isotropic electronic and optical properties, in contrast to the large anisotropic properties of the β-monoclinic Ga 2 O 3 . In addition, ZnGa 2 O 4 has shown, on average, better thermal dissipation and potential for n-and p-type conductivity. Here we use density functional theory and hybrid functional calculations to investigate the electronic, optical, and point defect properties of ZnGa 2 O 4 , focusing on the possibility for p-and n-type conductivity. We find that the cation antisite GaZn is the lowest energy donor defect that can lead to unintentional n-type conductivity. The stability of self-trapped holes (small hole polarons) and the high formation energy of acceptor defects make it difficult to achieve p-type conductivity. However, with excess of Zn, forming Zn (1+2x) Ga 2(1-x) O 4 alloys display an intermediate valence band, facilitating p-type conductivity. Due to the localized nature of this intermediate valence band, p-type conductivity by polaron hopping is expected, explaining the low mobility and low hole density observed in recent experiments.

show abstract

“…Significant alloying of Ga 2 O 3 with Bi 2 O 3 is a promising route to engineering p-type behaviour in this natively n-type system. 115 The formation of an intermediary valence band of Bi s character at around 1.6 eV above the valence band of the host material allows mixing with oxygen 2p states to improve band dispersion, while maintaining optical transparency. 115 Mg, Zn and Cu are investigated as potential extrinsic dopants in both Ga 2 O 3 and the Bi-Ga 2 O 3 alloy, with Mg Ga and Zn Ga calculated to have relatively low formation energies, but deep transition levels.…”

Section: Binary Oxidesmentioning

confidence: 99%

“…115 The formation of an intermediary valence band of Bi s character at around 1.6 eV above the valence band of the host material allows mixing with oxygen 2p states to improve band dispersion, while maintaining optical transparency. 115 Mg, Zn and Cu are investigated as potential extrinsic dopants in both Ga 2 O 3 and the Bi-Ga 2 O 3 alloy, with Mg Ga and Zn Ga calculated to have relatively low formation energies, but deep transition levels. This is due to the wavefunction of the acceptor state coupling to the localised hole state on an oxygen in the valence band, regardless of the position of the valence band.…”

Section: Binary Oxidesmentioning

confidence: 99%

“…The Cu Ga defect does not couple to a valence band oxygen, and so even though it is a deep acceptor in Ga 2 O 3 , it is shallow in the alloyed system now that the valence band has shifted up in energy, and the holes are localised on the Cu impurity site. 115 This is an intriguing new approach to engineering dispersion and acceptor levels, and such alloying could be applied to other materials with strongly correlated valence (or indeed conduction) bands. However, the localisation of the holes around the Cu defect site suggests that mobility may still not reach the levels required for use on a commercial scale.…”

Section: Binary Oxidesmentioning

confidence: 99%

See 1 more Smart Citation