Accurate band gaps of AlGaN, InGaN, and AlInN alloys calculations based on LDA-1/2 approach

We present parameter-free calculations of electronic properties of InGaN, InAlN, and AlGaN alloys. The calculations are based on a generalized quasichemical approach, to account for disorder and composition effects, and first-principles calculations within the density functional theory with the LDA-1/2 approach, to accurately determine the band gaps. We provide precise results for AlGaN, InGaN, and AlInN band gaps for the entire range of compositions, and their respective bowing parameters. (C) 2011 American Institute of Physics. [doi:10.1063/1.3576570]

Dynamique de recombinaison dans les puits quantiques InGaN/GaN

Nous étudions la recombinaison radiative des porteurs de charges photogénérés dans les puits quantiques InGaN/GaN étroits (2 nm). Nous caractérisons le comportement de la photoluminescence face aux différentes conditions expérimentales telles la température, l'énergie et la puissance de l'excitation et la tension électrique appliquée. Ces mesures montrent que l'émission provient d'états localisés. De plus, les champs électriques, présents nativement dans ces matériaux, n'ont pas une influence dominante sur la recombinaison des porteurs. Nous avons montré que le spectre d'émission se modifie significativement et subitement lorsque la puissance de l'excitation passe sous un certain seuil. L'émission possède donc deux ``phases'' dont nous avons déterminé le diagramme. La phase adoptée dépend à la fois de la puissance, de la température et de la tension électrique appliquée. Nous proposons que la phase à basse puissance soit associée à un état électriquement chargé dans le matériau. Ensuite, nous avons caractérisé la dynamique temporelle de notre échantillon. Le taux de répétition de l'excitation a une influence importante sur la dynamique mesurée. Nous concluons qu'elle ne suit pas une exponentielle étirée comme on le pensait précédemment. Elle est exponentielle à court temps et suit une loi de puissance à grand temps. Ces deux régimes sont lié à un seul et même mécanisme de recombinaison. Nous avons développé un modèle de recombinaison à trois niveaux afin d'expliquer le comportement temporel de la luminescence. Ce modèle suppose l'existence de centres de localisation où les porteurs peuvent se piéger, indépendamment ou non. L'électron peut donc se trouver sur un même centre que le trou ou sur n'importe quel autre centre. En supposant le transfert des porteurs entre centres par saut tunnel on détermine, en fonction de la distribution spatiale des centres, la dynamique de recombinaison. Ce modèle indique que la recombinaison dans les puits InGaN/GaN minces est liée à des agglomérats de centre de localisation.

Dynamique de recombinaison radiative dans les nanofils InGaN/GaN : étude détaillée de la photoluminescence

Mesures effectuées dans le laboratoire de caractérisation optique des semi-conducteurs du Prof. Richard Leonelli du département de physique de l'université de Montréal. Les nanofils d'InGaN/GaN ont été fournis par le groupe du Prof. Zetian Mi du département de génie électrique et informatique de l'université McGill.

Effect of Auger recombination and leakage on the droop in InGaN/GaN quantum well LEDs

We investigate the effect of the epitaxial structure and the acceptor doping profile on the efficiency droop in InGaN/GaN LEDs by the physics based simulation of experimental internal quantum efficiency (IQE) characteristics. The device geometry is an integral part of our simulation approach. We demonstrate that even for single quantum well LEDs the droop depends critically on the acceptor doping profile. The Auger recombination was found to increase stronger than with the third power of the carrier density and has been found to dominate the droop in the roll over zone of the IQE. The fitted Auger coefficients are in the range of the values predicted by atomistic simulations.

High Indium Concentration InGaN/GaN Grown on Sapphire Substrate by MOCVD

The InGaN system provides the opportunity to fabricate light emitting devices over the whole visible and ultraviolet spectrum due to band-gap energies E[subscript g] varying between 3.42 eV for GaN and 1.89 eV for InN. However, high In content in InGaN layers will result in a significant degradation of the crystalline quality of the epitaxial layers. In addition, unlike other III-V compound semiconductors, the ratio of gallium to indium incorporated in InGaN is in general not a simple function of the metal atomic flux ratio, f[subscript Ga]/f[subscript In]. Instead, In incorporation is complicated by the tendency of gallium to incorporate preferentially and excess In to form metallic droplets on the growth surface. This phenomenon can definitely affect the In distribution in the InGaN system. Scanning electron microscopy, room temperature photoluminescence, and X-ray diffraction techniques have been used to characterize InGaN layer grown on InN and InGaN buffers. The growth was done on c-plane sapphire by MOCVD. Results showed that green emission was obtained which indicates a relatively high In incorporation.

Phase separation and gap bowing in zinc-blende InGaN, InAlN, BGaN, and BAlN alloy layers

We present first-principles calculations of the thermodynamic and electronic properties of the zinc-blende ternary InxGa1-xN. InxAl1-xN, BxGa1-xN, and BxAl1-xN alloys. They are based on a generalized quasi-chemical approximation and a pseudopotential-plane-wave method. T-x phase diagrams for the alloys are obtained, We show that due to the large difference in interatomic distances between the binary compounds a significant phase miscibility gap for the alloys is found. In particular for the InxGa1-xN alloy, we show also experimental results obtained from X-ray and resonant Raman scattering measurements, which indicate the presence of an In-rich phase with x approximate to 0.8. For the boron-containing alloy layers we found a very high value for the critical temperature for miscibility. similar to9000 K. providing an explanation for the difficulties encountered to grow these materials with higher boron content. The influence of a biaxial strain on phase diagrams, energy gaps and gap bowing of these alloys is also discussed. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Phase separation suppression in InGaN epitaxial layers due to biaxial strain

Phase separation suppression due to external biaxial strain is observed in InxGa1-xN alloy layers by Raman scattering spectroscopy. The effect is taking place in thin epitaxial layers pseudomorphically grown by molecular-beam epitaxy on unstrained GaN(001) buffers. Ab initio calculations carried out for the alloy free energy predict and Raman measurements confirm that biaxial strain suppress the formation of phase-separated In-rich quantum dots in the InxGa1-xN layers. Since quantum dots are effective radiative recombination centers in InGaN, we conclude that strain quenches an important channel of light emission in optoelectronic devices based on pseudobinary group-III nitride semiconductors. (C) 2002 American Institute of Physics.

Surface preparation and characterization of semipolar (20-21) ingan layers

In questa tesi vengono studiate le proprietà fisiche della superficie di eterostrutture InGaN/GaN cresciute con orientazione semipolare (20-21). Questi materiali fornirebbero una valida alternativa alle eterostrutture cresciute secondo la tradizionale direzione di crescita polare (0001) per la realizzazione di LED e diodi laser. I dispositivi cresciuti con orientazione semipolare (20-21) sono studiati soltanto da pochi anni e hanno già fornito dei risultati che incitano significativamente il proseguimento della ricerca in questo campo. Oltre all’ottimizzazione dell’efficienza di questi dispositivi, sono richieste ulteriori ricerche al fine di raccogliere delle informazioni mancanti come un chiaro modello strutturale della superficie (20-21). I capitoli 1 e 2 forniscono un quadro generale sul vasto campo dei semiconduttori basati sui nitruri del terzo gruppo. Il capitolo 1 tratta le proprietà generali, come le caratteristiche della struttura cristallina della wurtzite, l’energy gap e il più comune metodo di crescita epitassiale. Il capitolo 2 tratta le proprietà specifiche della superficie (20-21) come struttura, morfologia e proprietà legate all’eterostruttura InGaN/GaN (incorporazione di indio, strain e spessore critico). Nel capitolo 3 vengono descritte sinteticamente le tecniche sperimentali utilizzate per studiare i campioni di InGaN. Molte di queste tecniche richiedono condizioni operative di alto vuoto e appositi metodi di preparazione superficiale. Nel capitolo 4 vengono discussi i risultati sperimentali riguardanti la preparazione superficiale e le proprietà strutturali dei campioni. Il trattamento termico in ambiente ricco di azoto si rivela essere un metodo molto efficiente per ottenere superfici pulite. La superficie dei campioni presenta una morfologia ondulatoria e una cella unitaria superficiale di forma rettangolare. Nel capitolo 4 vengono discussi i risultati sperimentali relativi alle proprietà elettroniche e ottiche dei campioni. Immagini alla risoluzione atomica rivelano la presenza di ondulazioni alla scala dei nanometri. Vengono misurati l’energy gap e l’incurvamento superficiale della bande. Inoltre vengono identificate una serie di transizioni interbanda dovute all’interfaccia InGaN/GaN.

Emission control of InGaN nanocolumns grown by molecular-beam epitaxy on Si(111) substrates

This work studies the effect of the growth temperature on the morphology and emission characteristics of self-assembled InGaN nanocolumns grown by plasma assisted molecular beam epitaxy. Morphology changes are assessed by scanning electron microscopy, while emission is measured by photoluminescence. Within the growth temperature range of 750 to 650 °C, an increase in In incorporation for decreasing temperature is observed. This effect allows tailoring the InGaN nanocolumns emission line shape by using temperature gradients during growth. Depending on the gradient rate, span, and sign, broad emission line shapes are obtained, covering the yellow to green range, even yielding white emission

InN/InGaN multiple quantum wells emitting at 1.5 mu m grown by molecular beam epitaxy

This work reports on the growth by molecular beam epitaxy and characterization of InN/InGaN multiple quantum wells (MQWs) emitting at 1.5 μm. X-ray diffraction (XRD) spectra show satellite peaks up to the second order. Estimated values of well (3 nm) and barrier (9 nm) thicknesses were derived from transmission electron microscopy and the fit between experimental data and simulated XRD spectra. Transmission electron microscopy and XRD simulations also confirmed that the InGaN barriers are relaxed with respect to the GaN template, while the InN MQWs grew under biaxial compression on the InGaN barriers. Low temperature (14 K) photoluminescence measurements reveal an emission from the InN MQWs at 1.5 μm. Measurements as a function of temperature indicate the existence of localized states, probably due to InN quantum wells’ thickness fluctuations as observed by transmission electron microscopy.

Efficient phosphor-free, white light emission from ordered arrays of GaN/InGaN nanocolumnar LEDs grown by Selective Area MBE

We fabricate and characterize novel LEDs based on InGaN/GaN nanocolumns grown on patterned substrates, leading to the periodically ordered growth of emitters directly producing white light

Surface-related optical properties of GaN and InGaN nanocolumns

• GaN NCs on Si • PA-MBE • Diameters 20 – 60 nm • Lengths 0.6 – 1.2 µm • Unstrained • PL lines correlate to NC coalescence, EXCEPT the 3.45 eV doublet

MBE growth and characterization of InGaN-based films and nanocolumns on Silicon substrates and GaN templates

InN layers: MBE growth issues Growth of InN-based thin films: InN/InGaN QWS on GaN Growth of InN-based nanorods ● Self Self-assembled assembled InN InN nanorods nanorods onon different different substrates substrates ● Self-assembled InGaN nanorods ● Broad- Broad-emission emission nanostructures ● Self Self--assembled assembled InGaN InGaN--based based Qdisks Qdisks ● Selective area growth (SAG) of InGaN Qdisks

Growth and characterization of InGaN/GaN quantum dots for violet/blue applications

We report on plasma-assisted molecular beam epitaxy growth and characterization of InGaN/GaN quantum dots (QDs) for violet/blue applications.

Cubic and hexagonal InGaAsN dilute arsenides by unintentional homogeneous incorporation of As into InGaN

Arsenic alloying is observed for epitaxial layers nominally intended to be In0.75Ga0.25N. Voids form beneath their interfaces with GaAs substrates, acting as sources of Ga + As out-diffusion into the growing epilayers. As a result, heteroepitaxial single-phase quaternary InxGa1-xAsyN1-y, films are formed with x similar to 0.55 and 0.05 menor que y menor que 0,10. While an undoped epilayer retains the wurtzite structure, a Mn-doped sample showed randomly spaced dopant segregations, which, together with a slightly higher As concentration, led to a transformation from the hexagonal to the twinned cubic phase.