<i>Ab initio</i> study of negative electron affinity from light metals on the oxygen-terminated diamond (1 1 1) surface

James, Michael C.; May, Paul; Allan, Neil L.

doi:10.1088/1361-648x/ab18ef

Cited by 10 publications

(17 citation statements)

References 56 publications

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“…The quality of the electron beam deposition was also proven by the appearance, after the 800 °C anneal, of a faint (2 × 1) LEED pattern on the (100) surface, as predicted by computational experiments. [ 35 ] The (111) surface showed a (1 × 1) LEED pattern, consistent with computational calculations that predicted this to be the most stable structure. [ 35 ]…”

Section: Resultssupporting

confidence: 75%

“…The Al−O−diamond system has recently been studied computationally on both the (100) and (111) diamond surfaces. [ 33–35 ] Al adsorption onto O‐terminated diamond was predicted to give large adsorption energies (from −6.0 to −7.3 eV) on both (100) and (111) diamond at 0.25 ML Al coverage due to the strong ionic bond between Al and O, as well as NEA values as large as ≈−2.2 eV. However, at higher coverages, some AlAl metallic bonding occurs, making Al less ionic and the surfaces mostly of positive electron affinity (PEA).…”

Section: Introductionmentioning

confidence: 99%

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Experimental Studies of Electron Affinity and Work Function from Aluminium on Oxidized Diamond (100) and (111) Surfaces

James

Cattelan

Fox

et al. 2021

Physica Status Solidi (b)

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Three different procedures are used to deposit aluminium onto O‐terminated (100) and (111) boron‐doped diamond, with the aim of producing a thermally stable surface with low work function and negative electron affinity. The methods are 1) deposition of a > 20 nm film of Al by high‐vacuum evaporation followed by HCl acid wash to remove excess metallic Al, 2) deposition of <3 Å of Al by atomic layer deposition, and 3) thin‐film deposition of Al by electron beam evaporation. The surface structure, work function, and electron affinity are investigated after annealing at temperatures of 300, 600, and 800 °C. Except for loss of excess O upon first heating, the Al + O surfaces remain stable up to 800 °C. The electron affinity values are generally between 0.0 and −1.0 eV, and the work function is generally 4.5 ± 0.5 eV, depending upon the deposition method, coverage, and annealing temperature. The values are in broad agreement with those predicted by computer simulations of Al + O (sub)monolayers on a diamond surface.

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Section: Resultssupporting

confidence: 75%

Section: Introductionmentioning

confidence: 99%

Experimental Studies of Electron Affinity and Work Function from Aluminium on Oxidized Diamond (100) and (111) Surfaces

James

Cattelan

Fox

et al. 2021

Physica Status Solidi (b)

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“…However, H-terminated diamond surfaces suffer from the phenomena of water adsorption, leading to charge transfer and unnecessary band bending [23,24]. Along with the instability of H termination at higher temperatures (> 700 °C) [25], this restricts the use of H-terminated surface in thermionic applications. Cs-O-terminated diamond surface has been demonstrated to possess a work function of 1.5 eV, but Cs desorbs above a temperature of 400 °C [26].…”

Section: Introductionmentioning

confidence: 99%

An investigation into the surface termination and near-surface bulk doping of oxygen-terminated diamond with lithium at various annealing temperatures

et al. 2021

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An alternative method of doping and surface functionalization of diamond using a chemical route was explored. The interaction of Li with the surface and bulk of oxygen-terminated diamond was investigated using Angle-Resolved X-ray Photoemission Spectroscopy (ARXPS). A stable LiO2 termination of diamond (100) surface and doping of near-surface diamond bulk was achieved up to an annealing temperature of 850 °C. The changes in interaction between the species involved (C, O, Li) and their stoichiometric ratios at the surface were investigated as a function of annealing temperature. This was done using ARXPS peak analysis. Graphic abstract

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“…Crystals 2019, 9, x FOR PEER REVIEW 2 of 11 diamond [24][25][26][27][28][29][30][31]. However, it still need systematically comparing of the impacts of different doping on the growth of CVD diamond films.…”

Section: Methodsmentioning

confidence: 99%

“…It was found that the CH 3 adsorption is one of the main growth steps of the diamond deposited, using the hot filament chemical vapor deposition (HFCVD) method under the H 2 and CH 4 atmosphere [22,23]. DFT calculation allows the better understanding of the influence of the impurities on the growth of diamond [24][25][26][27][28][29][30][31]. However, it still need systematically comparing of the impacts of different doping on the growth of CVD diamond films.…”

Section: Introductionmentioning

confidence: 99%

The Influence of B, N and Si Doping on the CH3 Adsorption on the Diamond Surface Based on DFT Calculations

2019

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To better understand the influence mechanism of boron, nitrogen and silicon dopants on the growth of chemical vapor deposition (CVD) diamond film, density functional calculations have been performed to reveal the different impact of the impurities on the CH3 adsorption on diamond surface. The substituted doping and radical doping of diamond (111) and (100) − 2 × 1 surface are both considered. The calculation results indicate that the CH3 radicals are hardly adsorbed on nitrogen atoms and thus may cause vacancy in the diamond lattice easily. Boron substituted doping will disfavor the adsorption of CH3 due to the lacking of valence electron. However, the empty p orbitals of boron atom will help the chemical adsorbing of CH3 radicals. The substituted silicon doping has little influence on the CH3 adsorption, as Si atom has the same outer valence electron structure with C atom. In the case of radical doping, the adsorption energy of CH3 will be reduced due to the steric hindrance between NH2 or SiH3 with CH3. The adsorption energy can be slightly enhanced when BH2 radical is pre-adsorbed on diamond (111) surface. However, the BH2 pre-adsorbed on diamond (100) − 2 × 1 surface may interact with surface radical carbon site and result in a large reduction of CH3 adsorption energy. Thus, the boron doping may hinder the formation of the (100) facet during the CVD diamond deposition under a certain condition.

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Ab initio study of negative electron affinity from light metals on the oxygen-terminated diamond (1 1 1) surface

Cited by 10 publications

References 56 publications

Experimental Studies of Electron Affinity and Work Function from Aluminium on Oxidized Diamond (100) and (111) Surfaces

Experimental Studies of Electron Affinity and Work Function from Aluminium on Oxidized Diamond (100) and (111) Surfaces

An investigation into the surface termination and near-surface bulk doping of oxygen-terminated diamond with lithium at various annealing temperatures

The Influence of B, N and Si Doping on the CH3 Adsorption on the Diamond Surface Based on DFT Calculations

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