Characteristics of Nitrogen-Doped GaAsP Light-Emitting Diodes

Sato, Tadashige; Imai, Megumi

doi:10.1143/jjap.41.5995

Cited by 10 publications

(4 citation statements)

References 8 publications

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“…Its band gap is 1.8 eV and it possesses a wide transmission window, spanning from approximately 1500–14000 nm, making it useful for applications in the shortwave infrared into the longwave infrared [ 118 ]. An alloy of gallium arsenide and gallium phosphide, GaAs 1− x P x , has been used for manufacturing red, orange, and yellow light-emitting diodes [ 119 ]. Gallium arsenide (GaAs) is one of the most widely investigated Group 13–15 direct semiconducting systems with many technological applications including in transistors [ 120 ] solar cells and detectors [ 121 ], light-emitting devices [ 122 ], spintronics [ 123 ], and etching [ 124 ].…”

Section: Arsenic In Crystalsmentioning

confidence: 99%

The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor

Varadwaj

Marques

et al. 2022

Molecules

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In chemical systems, the arsenic-centered pnictogen bond, or simply the arsenic bond, occurs when there is evidence of a net attractive interaction between the electrophilic region associated with a covalently or coordinately bound arsenic atom in a molecular entity and a nucleophile in another or the same molecular entity. It is the third member of the family of pnictogen bonds formed by the third atom of the pnictogen family, Group 15 of the periodic table, and is an inter- or intramolecular noncovalent interaction. In this overview, we present several illustrative crystal structures deposited into the Cambridge Structure Database (CSD) and the Inorganic Chemistry Structural Database (ICSD) during the last and current centuries to demonstrate that the arsenic atom in molecular entities has a significant ability to act as an electrophilic agent to make an attractive engagement with nucleophiles when in close vicinity, thereby forming σ-hole or π-hole interactions, and hence driving (in part, at least) the overall stability of the system’s crystalline phase. This overview does not include results from theoretical simulations reported by others as none of them address the signatory details of As-centered pnictogen bonds. Rather, we aimed at highlighting the interaction modes of arsenic-centered σ- and π-holes in the rationale design of crystal lattices to demonstrate that such interactions are abundant in crystalline materials, but care has to be taken to identify them as is usually done with the much more widely known noncovalent interactions in chemical systems, halogen bonding and hydrogen bonding. We also demonstrate that As-centered pnictogen bonds are usually accompanied by other primary and secondary interactions, which reinforce their occurrence and strength in most of the crystal structures illustrated. A statistical analysis of structures deposited into the CSD was performed for each interaction type As···D (D = N, O, S, Se, Te, F, Cl, Br, I, arene’s π system), thus providing insight into the typical nature of As···D interaction distances and ∠R–As···D bond angles of these interactions in crystals, where R is the remainder of the molecular entity.

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Section: Arsenic In Crystalsmentioning

confidence: 99%

The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor

Varadwaj

Marques

et al. 2022

Molecules

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“…IV. We start with GaAsP, an experimentally wellstudied and promising candidate for LEDs, detectors, and Si-based multi-junction solar cells [57][58][59][60][61][62][63][64]. The results for the GaAsN compound, a promising laser-active material [44,[65][66][67], are presented next.…”

Section: Introductionmentioning

confidence: 99%

Accurate first-principle bandgap predictions in strain-engineered ternary III-V semiconductors

Badal¹,

Marcel²,

Hepp³

et al. 2023

Preprint

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Tuning the bandgap in ternary III-V semiconductors via modification of the composition or the strain in the material is a major approach for the design of optoelectronic materials. Experimental approaches screening a large range of possible target structures are hampered by the tremendous effort to optimize the material synthesis for every target structure. We present an approach based on density functional theory efficiently capable of providing the bandgap as a function of composition and strain. Using a specific density functional designed for accurate bandgap computation (TB09) together with a band unfolding procedure and special quasirandom structures, we develop a computational protocol efficiently able to predict bandgaps. The approach's accuracy is validated by comparison to selected experimental data. We thus map the phase space of composition and strain (we call this the 'bandgap phase diagram') for several important III-V compound semiconductors: GaAsP, GaAsN, GaPSb, GaAsSb, GaPBi, and GaAsBi. We show the application of these diagrams for identifying the most promising materials for device design. Furthermore, our computational protocol can easily be generalized to explore the vast chemical space of III-V materials with all other possible combinations of III-and V-elements.

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“…Semiconductor compounds are central to modern optoelectronics and find applications in various fields, such as solar cells, light-emitting diodes, optical telecommunication, and photovoltaics. [1][2][3][4][5][6][7][8][9][10][11] One of the fundamental properties determining the performance of such optoelectronic devices is the bandgap. The tuning of the size and type of bandgaps is one of the major goals in the field of optoelectronics.…”

Section: Introductionmentioning

confidence: 99%

“…Subsequently, we construct the composition-strain-bandgap relationship, the "bandgap phase diagram", 58,88 for GaAsPSb using our ML model. Although many of the binary and ternary subsystems of GaAsPSb, namely GaAs, GaP, GaSb, GaAsP, GaAsSb, and GaPSb, have been successfully synthesized and found special applications in different research fields, 4,7,49,[89][90][91][92][93][94][95][96][97][98][99][100][101][102][103][104] this particular quaternary compound has not been studied yet. Therefore, our theoretical predictions can provide insights for future experimental exploration of this material system.…”

Section: Introductionmentioning

confidence: 99%

Systematic strain-induced bandgap tuning in binary III–V semiconductors from density functional theory

Badal

Tonner

2023

Phys. Scr.

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The modification of the nature and size of bandgaps for III-V semiconductors is of strong interest for optoelectronic applications. Strain can be used to systematically tune the bandgap over a wide range of values and induce indirect-to-direct (IDT), direct-to-indirect (DIT), and other changes in bandgap nature. Here, we establish a predictive first-principles approach, based on density functional theory, to analyze the effect of uniaxial, biaxial, and isotropic strain on the bandgap. We show that systematic variation is possible. For GaAs, DITs were observed at 1.52% isotropic compressive strain and 3.52% tensile strain, while for GaP an IDT was found at 2.63% isotropic tensile strain. We additionally propose a strategy for the realization of direct-indirect transition by combining biaxial strain with uniaxial strain. Further transition points were identified for strained GaSb, InP, InAs, and InSb and compared to the elemental semiconductor silicon. Our analyses thus provide a systematic and predictive approach to strain-induced bandgap tuning in binary III-V semiconductors.

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Characteristics of Nitrogen-Doped GaAsP Light-Emitting Diodes

Cited by 10 publications

References 8 publications

The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor

The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor

Accurate first-principle bandgap predictions in strain-engineered ternary III-V semiconductors

Systematic strain-induced bandgap tuning in binary III–V semiconductors from density functional theory

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