Graphene-like AlN layer formation on (111)Si surface by ammonia molecular beam epitaxy

Мансуров, В. Г.; Малин, Т. В.; Galitsyn, Yu. G.; Журавлев, К. С.

doi:10.1016/j.jcrysgro.2015.07.030

Cited by 78 publications

(43 citation statements)

References 19 publications

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“…The relaxed lattice constants of graphene and AlN monolayers are 2.46 and 3.08 Å, respectively, as consistent with reports [36,37]. We first calculated the band structures of graphene, g-AlN, g-AlN monolayer with an aluminum vacancy (g-AlN-V Al ) or a nitrogen vacancy (g-AlN-V N ) to better compare the electronic differences of graphene and g-AlN monolayer before and after contacting, as shown in Figure 1.…”

Section: Sublayers and Heterostructuressupporting

confidence: 91%

Tunable Electronic Properties of Graphene/g-AlN Heterostructure: The Effect of Vacancy and Strain Engineering

et al. 2019

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The structural and electronic properties of graphene/graphene-like Aluminum Nitrides monolayer (Gr/g-AlN) heterojunction with and without vacancies are systematically investigated by first-principles calculation. The results prove that Gr/g-AlN with nitrogen-vacancy (Gr/g-AlN-VN) is energy favorable with the smallest sublayer distance and binding energy. Gr/g-AlN-VN is nonmagnetic, like that in the pristine Gr/g-AlN structure, but it is different from the situation of g-AlN-VN, where a magnetic moment of 1 μB is observed. The metallic graphene acts as an electron acceptor in the Gr/g-AlN-VN and donor in Gr/g-AlN and Gr/g-AlN-VAl contacts. Schottky barrier height Φ B , n by traditional (hybrid) functional of Gr/g-AlN, Gr/g-AlN-VAl, and Gr/g-AlN-VN are calculated as 2.35 (3.69), 2.77 (3.23), and 1.10 (0.98) eV, respectively, showing that vacancies can effectively modulate the Schottky barrier height. Additionally, the biaxial strain engineering is conducted to modulate the heterojunction contact properties. The pristine Gr/g-AlN, which is a p-type Schottky contact under strain-free condition, would transform to an n-type contact when 10% compressive strain is applied. Ohmic contact is formed under a larger tensile strain. Furthermore, 7.5% tensile strain would tune the Gr/g-AlN-VN from n-type to p-type contact. These plentiful tunable natures would provide valuable guidance in fabricating nanoelectronics devices based on Gr/g-AlN heterojunctions.

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Section: Sublayers and Heterostructuressupporting

confidence: 91%

Tunable Electronic Properties of Graphene/g-AlN Heterostructure: The Effect of Vacancy and Strain Engineering

et al. 2019

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“…More recently, few monolayer thick flat h-AlN was formed on an Si(111) surface by molecular beam epitaxy with a lattice constant of 3.08 Å. 22 Also, 2D GaN has been synthesized via graphene encapsulation. 23 Theoretical and experimental studies show that monolayer h-GaN and h-AlN are indirect, wide band gap semiconductors.…”

Section: Introductionmentioning

confidence: 99%

Chemical and substitutional doping, and anti-site and vacancy formation in monolayer AlN and GaN

Kadıoğlu

Ersan

Kecik

et al. 2018

Phys. Chem. Chem. Phys.

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We investigated the effects of chemical/substitutional doping, hydrogenation, and anti-site and vacancy defects on the atomic, optoelectronic and magnetic properties of AlN and GaN monolayers. Upon doping of selected atoms, AlN and GaN monolayers can acquire magnetic properties, and their fundamental band gaps are modified by the localized gap states. Spin-polarized gap states broaden into bands at patterned coverage of adatoms, whereby half-metallic or magnetic semiconducting properties can be attained. Specific adatoms adsorbed to Ga atoms break the nearest vertical Ga-N bonds in the GaN bilayer in the heackelite structure and result in changes in the electronic and atomic structure. While adjacent and distant pairs of anion + cation vacancies induce spin polarization with filled and empty gap states, anti-site defects remain nonmagnetic; but both defects induce dramatic changes in the band gap. Fully hydrogenated monolayers are stable only for specific buckled geometries, where one geometry can also lead to an indirect to direct band gap transition. Also, optical activity shifts to the ultra-violet region upon hydrogenation of the monolayers. While H2 and O2 molecules are readily physisorbed on the surfaces of the monolayers with weak van der Waals attraction, they can be dissociated into constituent atoms at the vacancy site of the cation. Our study performed within density functional theory shows that the electronic, magnetic and optical properties of AlN and GaN monolayers can be tuned by doping and point defect formation in order to acquire diverse functionalities.

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“…32 In a more recent study, few monolayers thick flat h-AlN was formed on Si (111) surface by molecular beam epitaxy, with lattice constant of h-AlN being 3.08 Å . 48 Much recently, 2D GaN has been synthesized via graphene encapsulation, which is a significant achievement pointing GaN to be an important nanomaterial in 2D flexible optoelectronics. 49 In this study, the growth of wurtzite phase of GaN (wz-GaN) on SiC(0001) was initially realized in the forms of 3D islands [see Fig.…”

mentioning

confidence: 99%

Fundamentals, progress, and future directions of nitride-based semiconductors and their composites in two-dimensional limit: A first-principles perspective to recent synthesis

Kecik

Önen

Konuk

et al. 2018

Applied Physics Reviews

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Potential applications of bulk GaN and AlN crystals have made possible single and multilayer allotropes of these III-V compounds to be a focus of interest recently. As of 2005, the theoretical studies have predicted that GaN and AlN can form two-dimensional (2D) stable, single-layer (SL) structures being wide band gap semiconductors and showing electronic and optical properties different from those of their bulk parents. Research on these 2D structures have gained importance with recent experimental studies achieving the growth of ultrathin 2D GaN and AlN on substrates. It is expected that these two materials will open an active field of research like graphene, silicene, and transition metal dichalcogenides. This topical review aims at the evaluation of previous experimental and theoretical works until 2018 in order to provide input for further research attempts in this field. To this end, starting from three-dimensional (3D) GaN and AlN crystals, we review 2D SL and multilayer (ML) structures, which were predicted to be stable in free-standing states. These are planar hexagonal (or honeycomb), tetragonal, and square-octagon structures. First, we discuss earlier results on dynamical and thermal stability of these SL structures, as well as the predicted mechanical properties. Next, their electronic and optical properties with and without the effect of strain are reviewed and compared with those of the 3D parent crystals. The formation of multilayers, hence prediction of new periodic layered structures and also tuning their physical properties with the number of layers are other critical subjects that have been actively studied and discussed here. In particular, an extensive analysis pertaining to the nature of perpendicular interlayer bonds causing planar GaN and AlN to buckle is presented. In view of the fact that SL GaN and AlN can be fabricated only on a substrate, the question of how the properties of free-standing, SL structures are affected if they are grown on a substrate is addressed. We also examine recent works treating the composite structures of GaN and AlN joined commensurately along their zigzag and armchair edges and forming heterostructures, d-doping, single, and multiple quantum wells, as well as core/ shell structures. Finally, outlooks and possible new research directions are briefly discussed. Published by AIP Publishing. https://doi.

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Graphene-like AlN layer formation on (111)Si surface by ammonia molecular beam epitaxy

Cited by 78 publications

References 19 publications

Tunable Electronic Properties of Graphene/g-AlN Heterostructure: The Effect of Vacancy and Strain Engineering

Tunable Electronic Properties of Graphene/g-AlN Heterostructure: The Effect of Vacancy and Strain Engineering

Chemical and substitutional doping, and anti-site and vacancy formation in monolayer AlN and GaN

Fundamentals, progress, and future directions of nitride-based semiconductors and their composites in two-dimensional limit: A first-principles perspective to recent synthesis

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