[PDF]     https://doi.org/10.3952/physics.2025.65.4.4

Open access article / Atviros prieigos straipsnis
 
 Lith. J. Phys. 65, 212–222 (2025)
 

IMPACT OF STRUCTURAL DESIGN AND BISMUTH SEGREGATION ON GaAsBi/GaAs QUANTUM WELLS FOR NEAR-INFRARED EMITTERS: A NUMERICAL STUDY
  Justas Žuvelisa,b, Andrea Zeliolia, Evelina Dudutienėa, and Renata Butkutėa
aState Research Institute Center for Physical Sciences and Technology, Saulėtekio 3, 10257 Vilnius, Lithuania
bVilnius University, Faculty of Physics, Institute of Photonics and Nanotechnology, Saulėtekio 3, 10257 Vilnius, Lithuania
Email: justas.zuvelis@ftmc.lt

Received 8 December 2025; accepted 12 December 2025

In this work, we perform 8-band k·p simulations using the nextnano software to evaluate how Bi composition, quantum well width, and barrier thickness influence the interband transition energy and electron–hole envelope function overlap in GaAsBi/GaAs single- and multiple-quantum-well structures.
The results show that the optimization of Bi content, well width, or barrier thickness lead to the improved electron–hole overlap of up to approximately 10%, indicating enhanced radiative recombination efficiency. We additionally model Bi surface segregation using experimentally reported segregation probabilities and observe substantial modifications of the confinement potential, redshifts of 17–26 meV in the conduction band heavy-hole transition energy, and reductions of 5–7% in the electron–hole overlap. These effects arise from electron delocalization into Bi-enriched barriers. The study highlights that Bi segregation must be explicitly considered in the design of GaAsBi-based emitters and provides quantitative guidelines for achieving efficient and 1 μm wavelength-stable devices.
Keywords: GaAsBi, quantum wells, segregation, near-infrared, 8-band k·p, modelling


ARTIMOJO INFRARAUDONOJO RUOŽO SPINDUOLIAMS SKIRTŲ GaAsBi/GaAs KVANTINIŲ DUOBIŲ STRUKTŪRINIO DIZAINO IR BISMUTO SEGREGACIJOS SKAITMENINIS MODELIAVIMAS
Justas Žuvelisa,b, Andrea Zeliolia, Evelina Dudutienėa, Renata Butkutėa
aValstybinis mokslinių tyrimų institutas Fizinių ir technologijos mokslų centras, Vilnius, Lietuva
bVilniaus universiteto Fizikos fakulteto Fotonikos ir nanotechnologijų institutas, Vilnius, Lietuva
 
Šiame darbe, naudojant programinį paketą nextnano, buvo atliktos 8 juostų k·p metodo simuliacijos, siekiant įvertinti Bi koncentracijos, kvantinių duobių pločio ir barjerinių sluoksnių storio įtaką optinių šuolių energijai bei elektronų ir skylių banginių funkcijų persiklojimui pavienių ir daugybinių GaAsBi/GaAs kvantinių duobių struktūrose.
Nustatyta, kad optimizavus įterpto Bi kiekį, kvantinių duobių plotį ir barjerinių sluoksnių storį, elektronų ir skylių sanklotą, kuri lemia spindulinės rekombinacijos našumą, galima padidinti daugiau nei 10 %. Taip pat buvo įvertinta Bi segregacijos įtaka juostinei struktūrai. Nustatyta, kad bismuto įsiterpimas į barjerinius GaAs sluoksnius lemia 17–26 meV šuolio energijos poslinkį į raudonąją pusę bei akivaizdų elektronų ir skylių banginių funkcijų sanklotos sumažėjimą (5–7 %). Šiuo tyrimu parodyta, kad bismuto segregacija yra reikšminga ir ją būtina įskaityti kuriant GaAsBi/GaAs kvantinių duobių pagrindu veikiančius spinduolius. Taip pat darbe nubrėžtos dizaino gairės, skirtos prietaisų optimizavimui efektyviai 1 μm emisijai užtikrinti.


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