Synthesis, structure, and optoelectronic properties of II–IV–V<sub>2</sub>materials

Martinez, Aaron D.; Fioretti, Angela N.; Toberer, Eric S.; Tamboli, Adele C.

doi:10.1039/c7ta00406k

Cited by 163 publications

(130 citation statements)

References 144 publications

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“…Additionally, such II‐IV‐N 2 compounds show lattice parameters similar to those of (Al,Ga,In)N, which enable the formation of hybrid structures or epitaxial growth on group 13 nitrides. In the last few years, different studies examined the synthesis and properties of II‐IV‐N 2 compounds . However, the bulk synthesis of these materials is still challenging.…”

Section: Introductionmentioning

confidence: 99%

Solid Solutions of Grimm–Sommerfeld Analogous Nitride Semiconductors II‐IV‐N₂ (II=Mg, Mn, Zn; IV=Si, Ge): Ammonothermal Synthesis and DFT Calculations

Mallmann

Niklaus

Rackl

et al. 2019

Chemistry A European J

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Grimm–Sommerfeld analogous II‐IV‐N2 nitrides such as ZnSiN2, ZnGeN2, and MgGeN2 are promising semiconductor materials for substitution of commonly used (Al,Ga,In)N. Herein, the ammonothermal synthesis of solid solutions of II‐IV‐N2 compounds (II=Mg, Mn, Zn; IV=Si, Ge) having the general formula (IIa 1−xIIb x)‐IV‐N2 with x≈0.5 and ab initio DFT calculations of their electronic and optical properties are presented. The ammonothermal reactions were conducted in custom‐built, high‐temperature, high‐pressure autoclaves by using the corresponding elements as starting materials. NaNH2 and KNH2 act as ammonobasic mineralizers that increase the solubility of the reactants in supercritical ammonia. Temperatures between 870 and 1070 K and pressures up to 200 MPa were chosen as reaction conditions. All solid solutions crystallize in wurtzite‐type superstructures with space group Pna21 (no. 33), confirmed by powder XRD. The chemical compositions were analyzed by energy‐dispersive X‐ray spectroscopy. Diffuse reflectance spectroscopy was used for estimation of optical bandgaps of all compounds, which ranged from 2.6 to 3.5 eV (Ge compounds) and from 3.6 to 4.4 eV (Si compounds), and thus demonstrated bandgap tunability between the respective boundary phases. Experimental findings were corroborated by DFT calculations of the electronic structure of pseudorelaxed mixed‐occupancy structures by using the KKR+CPA approach.

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Section: Introductionmentioning

confidence: 99%

Solid Solutions of Grimm–Sommerfeld Analogous Nitride Semiconductors II‐IV‐N₂ (II=Mg, Mn, Zn; IV=Si, Ge): Ammonothermal Synthesis and DFT Calculations

Mallmann

Niklaus

Rackl

et al. 2019

Chemistry A European J

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“…At present, gallium nitride andi ts solid solutions( Al,Ga,In)N (III-N) represent the most important nitride semiconductors for numerous applications, for example, light-emitting diodes,l aser diodes or field-effect transistors. [3][4][5][6] Besides this, isotypic MgSiN 2 is also well-studied in terms of its electronic band structure, the photoluminescence of Mn 2 + doped or rare-earth-dopedm aterials as well as its ceramic properties. [3] In particular,t ernary nitrides with structural relationshipst og roup 13 nitrides are good candidates as next-generation semiconductor materials as they feature similar ranges of bandgaps and increased prospects for bandgape ngineering.…”

Section: Introductionmentioning

confidence: 99%

Ammonothermal Synthesis and Optical Properties of Ternary Nitride Semiconductors Mg‐IV‐N₂, Mn‐IV‐N₂ and Li‐IV₂‐N₃ (IV=Si, Ge)

Häusler

Niklaus

Minář

et al. 2017

Chemistry A European J

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Grimm-Sommerfeld analogous nitrides MgSiN , MgGeN , MnSiN , MnGeN , LiSi N and LiGe N (generally classified as II-IV-N and I-IV -N ) are promising semiconductor materials with great potential for application in (opto)electronics or photovoltaics. A new synthetic approach for these nitride materials was developed using supercritical ammonia as both solvent and nitride-forming agent. Syntheses were conducted in custom-built high-pressure autoclaves with alkali metal amides LiNH , NaNH or KNH as ammonobasic mineralizers, which accomplish an adequate solubility of the starting materials and promote the formation of reactive intermediate species. The reactions were performed at temperatures between 870 and 1070 K and pressures up to 230 MPa. All studied compounds crystallize in wurtzite-derived superstructures with orthorhombic space groups Pna2 (II-IV-N ) and Cmc2 (I-IV -N ), respectively, which was confirmed by powder X-ray diffraction. Optical bandgaps were estimated from diffuse reflectance spectra using the Kubelka-Munk function (MgSiN : 4.8 eV, MgGeN : 3.2 eV, MnSiN : 3.5 eV, MnGeN : 2.5 eV, LiSi N : 4.4 eV, LiGe N : 3.9 eV). Complementary DFT calculations were carried out to gain insight into the electronic band structures of these materials and to corroborate the optical measurements.

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“…including a discussion of growth and synthesis methods, crystal structure, lattice parameters, formation energy, band structure, phonons, elastic constants, piezo‐electric constants and linear and nonlinear optics. Another recent review is by Martinez et al Our group has also created a website dedicated to these materials at https://sites.google.com/a/case.edu/dmref/home. Until recently the most studied of these materials was ZnGeN 2 , the closest analog of GaN .…”

Section: Literature Reviewmentioning

confidence: 99%

Band Gaps, Band‐Offsets, Disorder, Stability Region, and Point Defects in II‐IV‐N₂ Semiconductors

Lyu

Skachkov

Kash

et al. 2019

Physica Status Solidi (a)

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Recent work on heterovalent ternary nitrides, II‐IV‐N2, is reviewed. The authors first provide an overview of the relevant literature, then briefly discuss band gaps, band offsets and the effects and nature of disorder. The authors discuss the energies of formation and evaluate the stability or metastability with respect to competing binary compounds. The Cd‐IV‐N2 compounds are found to be only metastable. For ZnGeN2 we present a revised chemical potential stability region and discuss its effects on the point defect energies of formation. The authors briefly discuss the current status of understanding of the point defects and doping in ZnGeN2.

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Synthesis, structure, and optoelectronic properties of II–IV–V₂materials

Abstract: II–IV–V2materials offer the promise of enhanced functionality in optoelectronic devices due to their rich ternary chemistry.

Cited by 163 publications

References 144 publications

Solid Solutions of Grimm–Sommerfeld Analogous Nitride Semiconductors II‐IV‐N₂ (II=Mg, Mn, Zn; IV=Si, Ge): Ammonothermal Synthesis and DFT Calculations

Solid Solutions of Grimm–Sommerfeld Analogous Nitride Semiconductors II‐IV‐N₂ (II=Mg, Mn, Zn; IV=Si, Ge): Ammonothermal Synthesis and DFT Calculations

Ammonothermal Synthesis and Optical Properties of Ternary Nitride Semiconductors Mg‐IV‐N₂, Mn‐IV‐N₂ and Li‐IV₂‐N₃ (IV=Si, Ge)

Band Gaps, Band‐Offsets, Disorder, Stability Region, and Point Defects in II‐IV‐N₂ Semiconductors

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Synthesis, structure, and optoelectronic properties of II–IV–V2materials

Abstract: II–IV–V2materials offer the promise of enhanced functionality in optoelectronic devices due to their rich ternary chemistry.

Cited by 163 publications

References 144 publications

Solid Solutions of Grimm–Sommerfeld Analogous Nitride Semiconductors II‐IV‐N2 (II=Mg, Mn, Zn; IV=Si, Ge): Ammonothermal Synthesis and DFT Calculations

Solid Solutions of Grimm–Sommerfeld Analogous Nitride Semiconductors II‐IV‐N2 (II=Mg, Mn, Zn; IV=Si, Ge): Ammonothermal Synthesis and DFT Calculations

Ammonothermal Synthesis and Optical Properties of Ternary Nitride Semiconductors Mg‐IV‐N2, Mn‐IV‐N2 and Li‐IV2‐N3 (IV=Si, Ge)

Band Gaps, Band‐Offsets, Disorder, Stability Region, and Point Defects in II‐IV‐N2 Semiconductors

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Synthesis, structure, and optoelectronic properties of II–IV–V₂materials

Solid Solutions of Grimm–Sommerfeld Analogous Nitride Semiconductors II‐IV‐N₂ (II=Mg, Mn, Zn; IV=Si, Ge): Ammonothermal Synthesis and DFT Calculations

Solid Solutions of Grimm–Sommerfeld Analogous Nitride Semiconductors II‐IV‐N₂ (II=Mg, Mn, Zn; IV=Si, Ge): Ammonothermal Synthesis and DFT Calculations

Ammonothermal Synthesis and Optical Properties of Ternary Nitride Semiconductors Mg‐IV‐N₂, Mn‐IV‐N₂ and Li‐IV₂‐N₃ (IV=Si, Ge)

Band Gaps, Band‐Offsets, Disorder, Stability Region, and Point Defects in II‐IV‐N₂ Semiconductors