Electronic and Optical Properties of Functionalized GaN‐(101¯0) Surfaces using Hybrid‐Density Functionals

Franke, Dennis; Rosa, A. L.; Lorke, Michael; Frauenheim, Thomas

doi:10.1002/pssb.201800455

Cited by 3 publications

(2 citation statements)

References 34 publications

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“…18 Specifically, gallium nitride (GaN) is a semiconductor material with wurtzite crystal structure that has a wide (3.4 eV) band gap and is widely used in ultraviolet-blue light emitting diodes, photodetectors and lasers. 19 In addition, GaN demonstrates good biocompatibility and aqueous stability in conditions relevant to biological applications. [20][21][22] Therefore, GaN has also been used in various biological applications.…”

Section: Introductionmentioning

confidence: 99%

Gallium nanoparticles as novel inhibitors of Aβ40 aggregation

et al. 2021

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Section: Introductionmentioning

confidence: 99%

Gallium nanoparticles as novel inhibitors of Aβ40 aggregation

et al. 2021

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“…GW calculations have been performed to determine the electronic structure of the doped systems. This approach has been succesfully used in our previous works [1,15,26,27].…”

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GW electronic structure calculations of Co doped ZnO

Franke,

Lorke,

Frauenheim

et al. 2019

Preprint

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Recently the point defect responsible for the emission of cobalt in doped ZnO samples has been indentified [1]. In this work we further extend our investigation to other point defects in Co-doped ZnO. We use density-functional theory and GW calculations to determined the orbital-resolved band structure of cobalt doped zinc oxide (ZnO). We show that mainly O-p and Co-d orbitals take part in the process and confirm that an oxygen interstitial nearby a cobalt atom is a likely defect to occur in ion beam Co-doped ZnO samples. We also rule out that other common point defects in ZnO can be responsible for the observed d-d transition. Finally, we suggest that defect complexes involving oxygen interstitials could be used to promote ferromagnetism in cobalt doped ZnO samples.

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Interplay of intrinsic and extrinsic states in pinning and passivation of m-plane facets of GaN n-p-n junctions

Freter

Schnedler

Carlin

et al. 2020

Journal of Applied Physics

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Intrinsic and extrinsic pinning and passivation of m-plane cleavage facets of GaN n-p-n junctions were investigated by cross-sectional scanning tunneling microscopy and spectroscopy. On freshly cleaved and clean p-type GaN(101¯0) surfaces, the Fermi level is found to be extrinsically pinned by defect states, whereas n-type surfaces are intrinsically pinned by the empty surface state. For both types of doping, air exposure reduces the density of pinning states and shifts the pinning levels toward the band edges. These effects are assigned to water adsorption and dissociation, passivating intrinsic and extrinsic gap states. The revealed delicate interplay of intrinsic and extrinsic surface states at GaN(101¯0) surfaces is a critical factor for realizing flatband conditions at sidewall facets of nanowires exhibiting complex doping structures.

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Electronic and Optical Properties of Functionalized GaN‐(101¯0) Surfaces using Hybrid‐Density Functionals

Cited by 3 publications

References 34 publications

Gallium nanoparticles as novel inhibitors of Aβ40 aggregation

Gallium nanoparticles as novel inhibitors of Aβ40 aggregation

GW electronic structure calculations of Co doped ZnO

Interplay of intrinsic and extrinsic states in pinning and passivation of m-plane facets of GaN n-p-n junctions

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