Growth Parameter Based Control of Cation Disorder in MgSnN2 Thin Films

York, Krystal; Makin, Robert A.; Senabulya, Nancy; Mathis, James; Clarke, Roy; Reeves, Roger J.; Durbin, Steven M.

doi:10.1007/s11664-020-08708-4

Cited by 6 publications

(9 citation statements)

References 27 publications

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“…Another first-principles study reported a reduced E g of 2.69 eV in cation-disordered rs-MTN . These facts suggest that the cation disorder in rs-MgSnN 2 leads to a reduction in E g as with the cases of WZ-type ZnSnN 2 and MgSnN 2 . ,, The experimental E g opt value in this study is close to the latter-predicted value and consistent with the previously estimated E g opt value of 2.3–2.4 eV in rs-MTN powders with a disordered cation sublattice. , Thus, we speculate that the directly grown rs-MTN film obtained in this study had a disordered cation sublattice. However, these E g opt comparisons are insufficient to conclude that the cation sublattice in the rs-MTN film was fully disordered.…”

Section: Results and Discussionsupporting

confidence: 89%

“…54 These facts suggest that the cation disorder in rs-MgSnN 2 leads to a reduction in E g as with the cases of WZ-type ZnSnN 2 and MgSnN 2 . 16,21,55 The experimental E g opt value in this study is close to the latterpredicted value and consistent with the previously estimated E g opt value of 2.3−2.4 eV in rs-MTN powders with a disordered cation sublattice. 17,18 Thus, we speculate that the directly grown rs-MTN film obtained in this study had a disordered cation sublattice.…”

Section: Direct Growth Of Rs-mtn On Mgo(111)supporting

confidence: 91%

“…MgSnN 2 (MTN) is a new member of II–IV–N 2 compounds, and its first theoretical and experimental studies were reported in 2016 and 2019, respectively. Recently, MTN has been suggested to have a high-pressure phase. − In most experiments, MTN has been studied in its thin-film form, ,− and the films usually had a wurtzite (WZ)-type crystal structure (wz-MTN), as shown in Figure a (which was visualized using the software VESTA). We found that high-pressure synthesis yielded rocksalt (RS)-type MTN (rs-MTN) in powder form (Figure b), , although its presence had not previously been predicted.…”

Section: Introductionmentioning

confidence: 99%

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Pressure-Induced Transition from Wurtzite and Epitaxial Stabilization for Thin Films of Rocksalt MgSnN₂

et al. 2023

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The thin-film synthesis of high-pressure phases in inorganic compounds remains a challenge. The synthesis of high-pressure phases in thin-film form opens potential opportunities for creating unique optoelectronic devices because high-pressure phases often exhibit intriguing characteristics that cannot be accessed in ambient phases. We investigated a high-pressure phase of MgSnN2 with the rocksalt structure (rs-MTN) which has only been identified in recent years. rs-MTN is a direct-gap compound, and its (111) plane matches perfectly with GaN(001), which implies that rs-MTN is a promising candidate for optoelectronic materials for light-emitting diodes and tandem solar cells. However, single-phase rs-MTN has never been synthesized in either thin-film or single-crystalline forms. Herein, single-phase rs-MTN thin films were successfully synthesized via two routes. One was the high-pressure heat treatment of wurtzite-type MTN precursor layers, and the other was direct growth onto isostructural MgO(111) substrates using reactive co-sputtering. The former route exploited the pressure-induced wurtzite-to-rocksalt transition and was designed based on first-principles calculations that predicted a transition pressure of ∼8 GPa. The latter route utilized epitaxial stabilization on the (111) plane of MgO. The direct growth of the rs-MTN films with smooth surfaces enabled the investigation into their optoelectronic properties. Consequently, the rs-MTN films were found to be n-type semiconductors with electron densities of an order of 1017 cm–3 and a band gap of 2.3 eV. These findings provide a platform for developing rs-MTN as an optoelectronic semiconductor.

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Section: Results and Discussionsupporting

confidence: 89%

Section: Direct Growth Of Rs-mtn On Mgo(111)supporting

confidence: 91%

Section: Introductionmentioning

confidence: 99%

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Pressure-Induced Transition from Wurtzite and Epitaxial Stabilization for Thin Films of Rocksalt MgSnN₂

et al. 2023

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“…In the past decade, researchers have begun to investigate wurtzite-type II–IV–N 2 nitrides, including ZnSnN 2 , − Zn(Ge,Sn)N 2 , − and MgSnN 2 ,− as semiconductors for photovoltaics and light emitters. The cations in the sputtered ZnSnN 2 and MgSnN 2 films almost randomly occupy the cation sublattice in the wurtzite structure (disordered wurtzite structure), , as shown in Figure a (the crystal structure was visualized using the software VESTA).…”

Section: Introductionmentioning

confidence: 99%

“…(b) Dependence of the band gap ( E g ) on the hexagonal lattice constant for III-, Zn–IV-, and Mg–IV-nitrides. The data were obtained from the literature (ref for AlN, GaN, InN, ZnSiN 2 , and ZnGeN 2 , refs and for ZnSnN 2 , ref for MgSnN 2 , and ref for MgSiN 2 and MgGeN 2 ).…”

Section: Introductionmentioning

confidence: 99%

Band Gap-Tunable (Mg, Zn)SnN₂ Earth-Abundant Alloys with a Wurtzite Structure

Yamada

Mizutani

Matsuura

et al. 2021

ACS Appl. Electron. Mater.

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Herein, wurtzite-type MgSnN2–ZnSnN2 alloys (Mg x Zn1–x SnN2) are proposed as earth-abundant and band gap-tunable semiconductors with fundamental band gaps in the range of 1.5–2.3 eV. The alloys do not exhibit immiscibility, unlike the InN–GaN system, because the lattice mismatch between the endmembers is smaller than 1% in both a- and c-axis directions. The Mg x Zn1–x SnN2 alloys can be epitaxially grown on GaN(001) in the whole x range, and their fundamental band gap can be tuned from 1.5 to 2.3 eV with the increase in x from 0 to 1. Moreover, the Mg x Zn1–x SnN2 epilayers with x > 0.53 exhibit a green-light photoluminescence emission near room temperature, which indicates that they are direct-gap semiconductors. Direct-gap semiconductors with band gaps of 1.8–2.5 eV are eagerly anticipated for the development of green light-emitting diodes (LEDs) and top cells in high-efficiency tandem solar cells, though such wurtzite- or zincblende-type compounds that can be epitaxially integrated with conventional semiconductors are quite rare. Therefore, Mg x Zn1–x SnN2 alloys are attractive nitride semiconductors toward the development of green-LEDs and tandem solar cells.

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Modulating the Combinatorial Target Power of MgSnN₂ via RF Magnetron Sputtering for Enhanced Optoelectronic Performance: Mechanistic Insights from DFT Studies

Chinnakutti

Kirubaharan

Patra

et al. 2023

ACS Appl. Mater. Interfaces

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The unique structural features of many ternary nitride materials with strong chemical bonding and band gaps above 2.0 eV are limited and are experimentally unexplored. It is important to identify candidate materials for optoelectronic devices, particularly for light-emitting diodes (LEDs) and absorbers in tandem photovoltaics. Here, we fabricated MgSnN2 thin films, as promising II–IV–N2 semiconductors, on stainless-steel, glass, and silicon substrates via combinatorial radio-frequency magnetron sputtering. The structural defects of the MgSnN2 films were studied as a function of the Sn power density, while the Mg and Sn atomic ratios remained constant. Polycrystalline orthorhombic MgSnN2 was grown on the (120) orientation within a wide optical band gap range of ∼2.20–2.17 eV. The carrier densities of 2.18× 1020 to 1.02 × 1021 cm–3, mobilities between 3.75 and 2.24 cm2/Vs, and a decrease in resistivity from 7.64 to 2.73 × 10–3 Ω cm were confirmed by Hall-effect measurements. These high carrier concentrations suggested that the optical band gap measurements were affected by a Burstein–Moss shift. Furthermore, the electrochemical capacitance properties of the optimal MgSnN2 film exhibited an areal capacitance of 152.5 mF/cm2 at 10 mV/s with high retention stability. The experimental and theoretical results showed that MgSnN2 films were effective semiconductor nitrides toward the progression of solar absorbers and LEDs.

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Growth Parameter Based Control of Cation Disorder in MgSnN2 Thin Films

Cited by 6 publications

References 27 publications

Pressure-Induced Transition from Wurtzite and Epitaxial Stabilization for Thin Films of Rocksalt MgSnN₂

Pressure-Induced Transition from Wurtzite and Epitaxial Stabilization for Thin Films of Rocksalt MgSnN₂

Band Gap-Tunable (Mg, Zn)SnN₂ Earth-Abundant Alloys with a Wurtzite Structure

Modulating the Combinatorial Target Power of MgSnN₂ via RF Magnetron Sputtering for Enhanced Optoelectronic Performance: Mechanistic Insights from DFT Studies

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Growth Parameter Based Control of Cation Disorder in MgSnN2 Thin Films

Cited by 6 publications

References 27 publications

Pressure-Induced Transition from Wurtzite and Epitaxial Stabilization for Thin Films of Rocksalt MgSnN2

Pressure-Induced Transition from Wurtzite and Epitaxial Stabilization for Thin Films of Rocksalt MgSnN2

Band Gap-Tunable (Mg, Zn)SnN2 Earth-Abundant Alloys with a Wurtzite Structure

Modulating the Combinatorial Target Power of MgSnN2 via RF Magnetron Sputtering for Enhanced Optoelectronic Performance: Mechanistic Insights from DFT Studies

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Product

Resources

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Pressure-Induced Transition from Wurtzite and Epitaxial Stabilization for Thin Films of Rocksalt MgSnN₂

Pressure-Induced Transition from Wurtzite and Epitaxial Stabilization for Thin Films of Rocksalt MgSnN₂

Band Gap-Tunable (Mg, Zn)SnN₂ Earth-Abundant Alloys with a Wurtzite Structure

Modulating the Combinatorial Target Power of MgSnN₂ via RF Magnetron Sputtering for Enhanced Optoelectronic Performance: Mechanistic Insights from DFT Studies