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Comparative study of divacancies in 3C-, 4H-, and 6H-SiC
Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-7942-8442
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-5349-3318
National Institutes for Quantum and Radiological Science and Technology 2, 1233 Watanuki, Takasaki, Gunma 370-1292; Department of Materials Science, Tohoku University 3, Japan.ORCID iD: 0000-0002-7850-3164
Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-6810-4282
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2025 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 127, no 5, article id 054003Article in journal (Refereed) Published
Abstract [en]

The divacancy comprising two neighboring vacant sites in the SiC lattice is a promising defect for applications in quantum technology. So far, most research has focused on the divacancy in 4H-SiC, whereas the divacancies in 6H- and 3C-SiC have received much less attention. Here, we outline arguments showing that the neutral charge state of the divacancies in the latter two polytypes is intrinsically stable, in contrast to that in 4H-SiC, where the photoluminescence quenches in most materials for certain excitation energies (below approximately 1.3 eV). Divacancies in 6H- and 3C-SiC are anticipated to remain stable for all excitation energies above resonant excitation. We provide ab initio calculation results for the charge transfer levels of divacancies in 6H- and 3C-SiC. We also show that the luminescence from the divacancy in 3C-SiC vanishes with increasing temperature toward room temperature because of the proximity of the excited state to the conduction band.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2025. Vol. 127, no 5, article id 054003
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-216949DOI: 10.1063/5.0266909ISI: 001547514200001Scopus ID: 2-s2.0-105012734585OAI: oai:DiVA.org:liu-216949DiVA, id: diva2:1991801
Funder
Knut and Alice Wallenberg Foundation, KAW 2018.0071EU, Horizon Europe, 101129663EU, Horizon Europe, 101156088EU, Horizon Europe, 101186889Vinnova, 2024-00461Swedish Research Council, 2022-00276Swedish Research Council, 2022-06725
Note

Funding Agencies|Knut och Alice Wallenbergs Stiftelse10.13039/501100004063 [KAW 2018.0071]; Knut and Alice Wallenberg Foundation [QRC-4-ESP, 101129663]; European projects under Horizon Europe [101156088, 101186889]; QUEST [2024-00461]; Vinnova [2022-06725]; Swedish Research Council

Available from: 2025-08-25 Created: 2025-08-25 Last updated: 2025-09-16
In thesis
1. Color Centers in Silicon Carbide for Quantum Technologies
Open this publication in new window or tab >>Color Centers in Silicon Carbide for Quantum Technologies
2025 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Silicon carbide (SiC) has been extensively researched as a wide bandgap semiconductor for high power applications during the past eight decades. Significant technological advancement in crystal growth has been achieved in the past thirty years. The development of high-quality single-crystal 4H-SiC substrates (with established 8´´-wafer production nowadays) has facilitated fabrication of advanced semiconductor components, revolutionizing power electronics. SiC, especially the hexagona 4H-SiC polytype, has emerged as a critical material for power applications due to its unique combination of a wide bandgap (3.26 eV for 4H-SiC), high thermal conductivity, and exceptional mechanical and electronic stability. These properties enable SiC-based devices to function efficiently at high voltages, elevated temperatures, and high frequencies, making it a superior alternative to conventional silicon-based semiconductors.

One of the most exciting frontiers of SiC research lies in its potential for quantum applications. With the rapid development of the field of quantum technology in the past approximately two decades, SiC has been considered also as a technologically mature alternative to diamond as a host of point defects with spin which can serve as quantum bits (qubits) for use in quantum technologies, and/or single photon sources for use in quantum communications. Like all crystals, SiC hosts point defect centres. Some of these are optically addressable, such as the silicon vacancies, silicon-carbon divacancies, nitrogen-vacancy complexes, and transition-metal-related defects one of which is vanadium substituting a Si atom. These defects exhibit long spin coherence times even at room temperature, making them promising candidates for quantum information processing, quantum sensing, and spintronics. In addition, their near-infrared optical emission aligns well with fibre-optic communication standards, offering an advantage over other quantum materials, including the most studied contender so far – the nitrogen-vacancy centre in diamond. The scalability and technological maturity of SiC wafer fabrication further strengthen its role as a platform for large-scale quantum device integration, positioning it as a key material for quantum networks, secure communication, and high-precision magnetometry.

In this thesis, we study in-ensemble some optical properties of several defects in SiC with prospects for use in quantum technology: the silicon vacancy, the divacancy, the nitrogen-vacancy pair, and vanadium in 3C-SiC. A set of defects with sharp emission in the telecom S-band has also been discovered, and their optical properties are studied, although the origin of these defects remains unidentified at present. The thesis also focuses on investigating and implementing advanced measurement techniques for the characterization of the colour centres in SiC, such as photoluminescence (PL) and optically detected magnetic resonance (ODMR). A whole new optical setup implementing confocal microscopy with micro-PL and ODMR capability and the possibility for PL mapping and measuring on single defects is built. These experimental methods provide critical insights into the optical and spin properties of different defect centres, allowing a deeper understanding of their behavior under various external conditions such as temperature, magnetic field, and laser excitation.

The thesis presents studies on the influence of the excitation-laser polarization on the luminescence of the high-symmetry configurations of binary defects in the uniaxial 4H- and 6H-polytypes of SiC, a comparative study of the stability of the divacancy emission in the three common polytypes, 3C- 4H-, and 6H-SiC, and a detailed consideration of the vanadium centre in 3C-SiC. New first-principles calculation results for the charge transition levels of the divacancy in 6H- and 3C-SiC, as well as the electronic structure of the vanadium centre in 3C-SiC are included. The thesis addresses also the appearance of the ODMR spectrum at room and low temperatures in 4H-SiC, showing that the interpretation of some of the ODMR lines in previous literature is erroneous. A study of the optical and magneto-optical properties of a set of new defects with sharp emission at telecom bands is presented, albeit their physical nature remains unknown at present.

Abstract [sv]

Kiselkarbid (SiC) har under de senaste åtta decennierna varit föremål för omfattande forskning som en halvledare med stort bandgap för högeffekt tillämpningar. Under de senaste trettio åren har betydande teknologiska framsteg inom kristalltillväxt uppnåtts. Utvecklingen av högkvalitativa enkristallina 4H-SiC-substrat (med etablerad produktion av 8´´-skivor idag) har underlättat tillverkning av avancerade halvledarkomponenter och revolutionerat kraftelektroniken. Kiselkarbid, särskilt hexagonala 4H-SiC-polytypen, har etablerat sig som ett kritiskt material för kraftelektroniska applikationer tack vare dess unika kombination av ett brett bandgap (3,26 eV för 4H-SiC), hög värmeledningsförmåga samt exceptionell mekanisk och elektronisk stabilitet. Dessa egenskaper gör det möjligt för SiC-baserade komponenter att fungera effektivt vid höga spänningar, förhöjda temperaturer och höga frekvenser, vilket gör det till ett överlägset alternativ till konventionella kiselbaserade halvledarkomponenter.

En av de mest spännande fronterna för SiC-forskning ligger i dess potential för kvanttillämpningar. Med den snabba utvecklingen inom kvantteknologi under de senaste två decennierna har SiC också betraktats som ett teknologiskt moget alternativ till diamant som värdmaterial för punktdefekter med spinn, vilka kan fungera som kvantbitar (qubits) för kvantteknologi och/eller som enstaka fotonkällor för kvantkommunikation. Liksom alla kristaller innehåller SiC punktdefekter. Vissa av dessa är optiskt adresserbara, såsom kiselvakanser, kisel-kol-divakanser, kväve-vakanskomplex samt övergångsmetallrelaterade defekter, varav en är vanadin som ersåtter en Si-atom. Dessa defekter uppvisar långa spinnkoherenstider även vid rumstemperatur, vilket gör dem lovande för kvantinformationsbehandling, kvantavkänning och spinntronik. Dessutom stämmer deras närainfraröda optiska emission väl överens med fiberoptiska kommunikationsstandarder, vilket ger en fördel jämfört med andra kvantmaterial, inklusive den hittills mest studerade utmanaren hittills – kväve-vakanscentrumet i diamant. Skalbarheten och den teknologiska mognaden hos SiC-waferproduktion stärker ytterligare dess roll som en plattform för storskalig integration av kvantenheter, vilket positionerar det som ett nyckelmaterial för kvantnätverk, säker kommunikation och högprecisionsmagnetometri. I denna avhandling studerar vi, i ensemble, vissa optiska egenskaper hos flera defekter i SiC med potential för användning inom kvantteknologi: kiselvakansen, divakansen, kvävevakansparet och vanadin i 3C-SiC. En uppsättning defekter med skarp emission i telekom Sbandet upptäcks också, och deras optiska egenskaper undersöks, även om ursprunget till dessa defekter för närvarande är okänt. Avhandlingen fokuserar även på att undersöka och implementera avancerade mätmetoder för karakterisering av färgcentra i SiC, såsom fotoluminiscens (PL) och optiskt detekterad magnetisk resonans (ODMR). Ett helt nytt optiskt uppställningssystem med konfokalmikroskopi, mikro-PL- och ODMR-kapabilitet, samt möjlighet för PL-kartläggning och mätning på enstaka defekter, konstrueras.

Dessa experimentella metoder ger viktiga insikter om de optiska egenskaperna och spinnrelaterade egenskaperna hos olika defektcentra, vilket möjliggör en djupare förståelse av deras beteende under olika yttre förhållanden som temperatur, magnetfält och laserexcitation. Avhandlingen presenterar studier av inverkan av excitationens laserpolarisation på luminescensen hos de högsymmetriska konfigurationerna av binära defekter i de uniaxiella 4Hoch 6H-polytyperna av SiC, en jämförande studie av divakansens emissionsstabilitet i de tre vanligaste polytyper-na (3C-, 4H- och 6H-SiC) samt en detaljerad undersökning av vanadiumcentret i 3C-SiC. Nya beräkningsresultat för laddningsövergångsnivåerna för divacansen i 6H- och 3C-SiC, samt den elektroniska strukturen hos vanadincentrum i 3C-SiCingår. Avhandlingen behandlar även utseendet av ODMR-spektrumet vid rumstemperatur och låga temperaturer för divakanserna i 4H-SiC, där det påvisas att tolkningen av vissa ODMRlinjer i tidigare litteratur är felaktig. En studie av de optiska och magneto-optiska egenskaperna hos en uppsättning nya defekter med skarp emission i telekomband presenteras, även om deras fysiska natur för närvarande är okänd.

Place, publisher, year, edition, pages
Linköping: Linköping University Electronic Press, 2025. p. 29
Series
Linköping Studies in Science and Technology. Dissertations, ISSN 0345-7524 ; 2448
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:liu:diva-213531 (URN)10.3384/9789181180879 (DOI)9789181180862 (ISBN)9789181180879 (ISBN)
Public defence
2025-06-12, Planck, F-building, Campus Valla, Linköping, 10:15 (English)
Opponent
Supervisors
Available from: 2025-05-12 Created: 2025-05-12 Last updated: 2025-08-25Bibliographically approved

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Shafizadeh, DanialDavidsson, JoelNguyen, Son TienIvanov, Ivan Gueorguiev

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