Ab initio studies of early stages of nitride growth process on silicon carbide

Sznajder, M.; Wachowicz, E.; Majewski, J. A.

doi:10.1016/j.jcrysgro.2014.01.048

Cited by 5 publications

(4 citation statements)

References 11 publications

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“…1-7 involving an appropriate exchange of 50% of N(B) atoms in the N(B) layer of the N(B)-C interface by B(N) atoms in the diamond/c-BN junction leads to stable, charge compensated interfaces. Our studies confirms general trend observed in heterovalent junctions (e.g., 4H-SiC/wz-GaN [11,12]) that charge compensating reconstruction of the interface is a prerequisite of its energetic stability.…”

Section: Discussionsupporting

confidence: 90%

Morphology and Stability of the C/BN Interfaces: Ab Initio Studies

2016

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We investigate the morphology and charge distribution at the (001)-diamond/BN heteropolar junctions of the cubic materials. Our investigations are based on the first principles calculations in the framework of the density functional theory. These studies reveal that reconstruction of the interface leads to possible charge compensation at the interface and increases also the stability of the junction in comparison to the abrupt interfaces.

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Section: Discussionsupporting

confidence: 90%

Morphology and Stability of the C/BN Interfaces: Ab Initio Studies

2016

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“…Al x Ga 1 − x N ultraviolet avalanche photodiodes were grown on GaN substrates; results show that the avalanche gain is due to the low dislocation density in the bulk of GaN substrates [33]. Moreover, heterostructures of GaN with IV compounds have been studied, either theoretically or experimentally, and they are found to be stable [34][35][36][37]. Recently, electronic structure, charge transfer, and optical properties of GaN-GeC van der Waals heterostructures have been investigated using first-principle calculations; results suggest optical absorption in the visible region, which indicates that this is a promising material for photocatalytic applications [38].…”

Section: Introductionmentioning

confidence: 99%

Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study

Camacho-García

Ruiz-Peralta

Hernández-Cocoletzi

et al. 2022

Advances in Condensed Matter Physics

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First-principle calculations have been performed to explore the initial stages of the zinc blende-like germanium carbide epitaxial growth on the gallium nitride (001)-(2 × 2) surface. First, we studied the Ge/C monolayer adsorption and incorporation at high symmetry sites. Results show that the adsorptions at the top and hcp1 sites are the most stable structures of C and Ge, respectively. Different terminated surfaces were used on the GeC epitaxial growth. According to the surface formation energies, only the first two bilayers are stable; therefore, the GeC epitaxial growth is favorable only under N-rich conditions on a Ge-terminated surface and with Ge bilayers terminated. In addition, it is demonstrated that GeC bilayers on the C-terminated surfaces are unstable and preclude the epitaxial growth. Electronic properties have been investigated by calculating the density of states (DOS) and the projected density of states (PDOS) of the most favorable structures.

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“…Moreover, Städele et al [147] have reported that the preferable 3C-SiC/AlN or GaN interface bonding configurations are Si-N and Ga-C and also that the single mixed layer interfaces are the most stable ones. M. Sznajder et al [148] studied the early stages of nitride growth process on silicon carbide. In Fig.…”

Section: Nitride Binding Configurations To Sicmentioning

confidence: 99%

“…In the case of SiC (0001) surface, the adsorption takes place at the site slightly shifted from T4 towards the H3 site and the adsorption energy equals to -3.97 eV/atom. As a result, both metals are uniformly spread over the 4H-SiC {0001} surfaces forming a stable, flat monolayer [148]. Furthermore, using a tight binding model, Ren and Dow [149] concluded that GaN grown on a C-terminated and Si-terminated SiC substrate shows a local mismatch of 6% and <3% respectively.…”

Section: Nitride Binding Configurations To Sicmentioning

confidence: 99%

Study of nanostructures and interfaces of technological materials by means of electron microscopy techniques

Gkanatsiou¹

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Το αντικείμενο της διατριβής αφορά στη μελέτη με τεχνικές ηλεκτρονικής μικροσκοπίας (συμβατικής, υψηλής διακριτικής ικανότητας και άλλες εξελιγμένες τεχνικές) α) δομών που αποτελούνται από ομοεπιταξιακά ανεπτυγμένα στρώματα 4Η-SiC (καρβιδίου του πυριτίου) σε υποστρώματα 4H-SiC 2 deg-off, για εφαρμογές MOS διατάξεων και β) πολυστρωματικές δομές AlGaN/GaN επιταξιακά ανεπτυγμένες σε υποστρώματα Si (111) (πυριτίου) και (0001) SiC (4H-6H) (on axis και 1-2 deg-off axis), για εφαρμογές σε τρανζίστορ υψηλής ευκινησίας ηλεκτρονίων-HEMT (με τη μέθοδο MOCVD). Στην περίπτωση (α), η ανάλυση των εικόνων ηλεκτρονικής μικροσκοπίας έδειξε οτι επιτεύχθηκε μία λεία-καλής ποιότητας διεπιφάνεια SiO2/4H-SiC (μετά την χημική-μηχανική επιπεδοποίηση-CMP), χωρίς να παρουσιάζει ατέλειες (προκαλούμενες από την επιταξιακή ανάπτυξη). Στη δεύτερη περίπτωση (β), η επιφάνεια της AlGaN/GaN ετεροεπαφής, ανεπτυγμένης σε υποστρώματα SiC 2 deg-off, εμφάνισε την καλύτερη μορφολογία (επίπεδη), παρόλη την ύπαρξη των βαθμίδων, παρουσιάζοντας ταυτόχρονα αυξημένη ευκινησία φορέων. Σε τελικό στάδιο, η ποσοτική ανάλυση των μικρογραφημάτων υψηλής διακριτικής ικανότητας επέτρεψε την ανοικοδόμηση προτύπων δομής για την περιοχή των βαθμίδων (περιπτώσεις με ασήμαντη αλλά και έντονη παραμόρφωση) στη διεπιφάνεια AlN/SiC. Τα αποτελέσματα της προσομοίωσης παρουσίασαν καλή ταύτιση με τα πειραματικά αποτελέσματα, επιβεβαιώνοντας την εγκυρότητα των προτεινόμενων μοντέλων. Συμπερασματικά, τα αποτελέσματα της διατριβής αυτής έδειξαν οτι η GaN ετεροεπιταξία και η SiC ομοεπιταξία μπορούν να εισαχθούν επιτυχώς σε 2 deg-off SiC υποστρώματα, ανοίγοντας τον δρόμο για τη μονολιθική ενσωμάτωση και των δύο τύπων διατάξεων σε μία κοινή πλατφόρμα από SiC.

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Ab initio studies of early stages of nitride growth process on silicon carbide

Cited by 5 publications

References 11 publications

Morphology and Stability of the C/BN Interfaces: Ab Initio Studies

Morphology and Stability of the C/BN Interfaces: Ab Initio Studies

Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study

Study of nanostructures and interfaces of technological materials by means of electron microscopy techniques

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