Advancements in Half-Heuslers: A Key to Clean EnergyAdvancements in Half-Heuslers: A Key to Clean Energy explores the groundbreaking potential of half-Heusler compounds in addressing clean energy challenges. Tracing the discovery of the first Heusler compound in 1903 to the modern era, this book highlights the remarkable properties of half-Heusler materials, including their tuneable energy gaps, mechanical stability, and multifunctional capabilities. With applications in photovoltaics, thermoelectrics, and spintronics, these compounds are pivotal in the development of sustainable technologies. Using density functional theory advanced computational methods, it analyzes the structural, electronic, optical, and thermoelectric properties of selected half-Heusler compounds. Key insights into mechanical and thermal stability further solidify their suitability for high-performance devices. With its detailed analysis and focus on emerging applications, this book serves as a valuable resource for researchers, engineers, and anyone passionate about renewable energy and materials science. |
Contents
Sustainable Future with HalfHeusler Alloys 1729 | 17 |
Computational Tools for Materials Analysis 3053 | 30 |
Hybrid Functional Study of LiZnX HalfHeuslers 5483 | 54 |
Material Properties to 84116 | 84 |
StateoftheArt RbBased HalfHeuslers 117145 | 117 |
Advanced Study of AlNiX HalfHeuslers 146180 | 146 |
Highlights and Horizons 181184 | 181 |


