Extrinsic point defects in aluminum antimonide

Erhart, Paul; Åberg, Daniel; Lordi, Vincenzo

doi:10.1103/physrevb.81.195216

Cited by 22 publications

(13 citation statements)

References 32 publications

(50 reference statements)

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“…We present results for a representative test case of a range of impurities in the zinc-blende semiconductor AlSb. 13,19 We have computed the values of the scattering matrix elements ͗f͉⌬V͉i͘ for a variety of relevant scattering channels throughout the Brillouin zone and also the corresponding relative scattering rates M 2 from Eq. ͑4͒ for comparison.…”

Section: Resultsmentioning

confidence: 99%

Charge carrier scattering by defects in semiconductors

2010

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A first-principles framework for calculating the rates of charge carrier scattering by defects in semiconductors is presented. First a quantitative formalism is outlined, followed by the development of an approximate relative formalism that allows rapid assessment of the effects of different defects on carrier transport in given materials. Representative results are presented that demonstrate the applicability of the relative formalism, which achieves a three to four orders of magnitude reduction in computational cost compared to the full quantitative calculation. The differences between the two formalisms are discussed in light of average carrier scattering by a defect, differences between electron and hole scattering, and variations of the scattering matrix elements throughout the Brillouin zone. Results and analysis are presented within the Born approximation for carrier scattering, which is applicable in the absence of strong interactions between scattering centers ͑i.e., the dilute limit͒. The theory as presented can be extended to interacting defects without modification if they can be represented as a set of unit defect clusters/complexes without long-range correlated interactions between them.

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Section: Resultsmentioning

confidence: 99%

Charge carrier scattering by defects in semiconductors

2010

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“…These extrinsic point defects are chosen because they act as acceptors in AlSb and their formation energies were found to be the lowest ones for carbon and oxygen impurities in AlSb (Ref. 13).…”

Section: Methodsmentioning

confidence: 99%

“…The prediction of the Sb Ga donor levels associated with low defect formation energies is a challenge for explaining the Even though our main focus is on the native point defects, we also perform a very limited study of extrinsic point defects, namely carbon at the substitutional Sb site and oxygen at the interstitial cation site as possible sources of p-type conductivity. Erhart et al 13 studied these defects in AlSb and found them as the most detrimental impurities that can be unintentionally incorporated during the growth process. They used the LDA functional and 64-atom supercell to study various extrinsic point defects in AlSb and found that substitutional carbon at the Sb site acts as a singly acceptor for the whole range of the Fermi level.…”

Section: Introductionmentioning

confidence: 99%

Native point defect energetics in GaSb: Enablingp-type conductivity of undoped GaSb

et al. 2012

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The energetics of native point defects in GaSb is studied using the density-functional theory within the hybrid functional scheme (HSE06). Our results indicate that the Ga Sb antisite has the lowest formation energy and could thus be the acceptor defect responsible for the p-type conductivity of undoped GaSb. We find also that the Sb Ga antisite has a remarkably low formation energy in Sb-rich growth conditions and it should act as a donor for all Fermi level positions in the band gap. However, we suggest that the structural metastability of the Sb Ga antisite or extrinsic point defects, namely carbon and in particular oxygen, may neutralize its compensating character.

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“…At thermodynamic equilibrium, the concentration of each type of defect follows the Boltzmann distribution [40]:…”

Section: Scintillation Propertymentioning

confidence: 99%

Defect Engineering by Codoping in KCaI3:Eu2+ Single-Crystalline Scintillators

Jones

et al. 2017

Phys. Rev. Applied

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Eu2+ doped alkali or alkali earth iodide scintillators with energy resolutions ≤3% at 662 keV promise the excellent discrimination ability for radioactive isotopes required for homeland security and nuclear non-proliferation applications. To extend their applications to X-ray imaging, such as computed tomography scans, the intense afterglow which delays the response time of such materials is an obstacle that needs to be overcome. However, a clear understanding of the origin of the afterglow and feasible solutions is still lacking. In this work, we present a combined experimental and theoretical combined investigation of the physical insights of codoping-based defect engineering which can reduce the afterglow effectively in

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Extrinsic point defects in aluminum antimonide

Cited by 22 publications

References 32 publications

Charge carrier scattering by defects in semiconductors

Charge carrier scattering by defects in semiconductors

Native point defect energetics in GaSb: Enablingp-type conductivity of undoped GaSb

Defect Engineering by Codoping in KCaI3:Eu2+ Single-Crystalline Scintillators

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