Nomad2018 Predicting Transparent ConductorsNomad2018预测透明导体

铝 （Al），镓 （Ga），铟 （In）倍半氧化物是一些最有前途的透明导体，因为它们结合了大的 带隙 能量，这导致可见光范围内的光学透明性和高 电导率。这些材料也是化学稳定的并且生产相对便宜。这些二元化合物在三元或四元混合物中的合金化可以使新材料的设计具有特定的组成，并且具有比当前可能的更高的性能。这些合金用公式\（（（Al_ {x} Ga_ {y} In_ {z}）_ {2N} O_ {3N} \）描述；其中x，y和z可以变化，但是受约束x + y + z = 1的限制。提供了3,000种材料的高质量数据，这些材料显示出有望成为透明导体。

Aluminum (Al), gallium (Ga), and indium (In) sesquioxides are among the most promising transparent conductors, as they combine large band gap energies, which endow them with optical transparency in the visible light range and high electrical conductivity. These materials also exhibit excellent chemical stability and are relatively inexpensive to produce. Alloying these binary compounds into ternary or quaternary mixtures enables the design of new materials with tailored compositions and superior performance than currently available alternatives. These alloys are described by the formula $((Al_{x}Ga_{y}In_{z})_{2N}O_{3N})$, where x, y, and z can vary, subject to the constraint that x + y + z = 1. High-quality data for 3,000 materials that show promise as transparent conductors is provided.

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背景与挑战

背景概述

Nomad2018预测透明导体数据集专注于铝、镓、铟倍半氧化物材料，这些材料因结合大带隙能量和高电导率而成为有前景的透明导体。该数据集提供了3000种材料的高质量数据，旨在预测形成能和带隙能两个关键属性，以支持新材料设计。