Optoelectronic functional material, useful in optoelectronic devices, comprises an intermetallic compound made of composition of semi-Heusler-type, having specific valence electrons

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This patent presents a new optoelectronic functional material made from a specific class of semi-Heusler-type intermetallic compounds with 8 valence electrons. The invention details how these compounds can be produced by choosing different elements to form a stable structure with desired electronic properties, suitable for use in optoelectronic devices. The patent also covers a method for selecting such compounds as substitutes for conventional buffer materials in devices by matching their electronic and structural characteristics.

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• As a material layer in optoelectronic devices such as LEDs, photodetectors, or solar cells
• As a replacement buffer layer in semiconductor devices to improve performance or reduce material costs
• In integrated circuits where metal-semiconductor junctions with specific properties are required
• For developing new types of electronic or optoelectronic components with improved tunability and compatibility

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• Allows the design of materials with tailored electronic properties for specific optoelectronic device needs
• Potential for cost and resource savings by replacing rare or expensive buffer materials
• Enhances device efficiency by enabling better lattice and bandgap matching
• May offer improved environmental and economic sustainability through careful element selection
• Supports the development of next-generation semiconductors and devices with customizable features

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Patent Abstract

Optoelectronic functional material comprises at least one intermetallic compound made of XYZ composition of semi-Heusler-type, having 8 valence electrons. Independent claims are also included for: (1) producing the functional material, comprising preparing the intermetallic compound made of three different elements X, Y and Z, where the elements and the quantity of the elements are selected in such a way that the resulting compound crystallizes cubically, possesses the semi-Heusler structure, is semi-conductive or has a metal-semiconductor junction, and exhibits 8 valence electrons, and converting the obtained compound into an optoelectronic functional material; and (2) selecting ternary intermetallic compounds as a substitute for known buffer materials in optoelectronic devices, comprising preliminary selecting of compounds under observation, determining the electronegativities of the elements present in the respective intermetallic compound and the atomic radii of the elements of the respective compound, optionally determining the economical and ecological aspects related to the elements of the respective compound, calculating, arranging the elements of the respective intermetallic compound on the lattice sites of the unit cell in an energetic and most favorable manner, determining the corresponding equilibrium lattice constant and the corresponding band structure using ab initio calculation, where the obtained results for selecting the buffer material substitute are used, by which the ternary intermetallic compounds are selected whose calculated and optionally corrected bandgap and equilibrium lattice constant coincides with the bandgap and the lattice constant of the buffer material to be replaced, considering a predefined tolerance.