Exploring Holmium Pnictides: A Theoretical Review Of Recently Investigated Properties For Advanced Technological Applications

Abstract

Holmium Pnictides (HoX; X = P, As, Sb, Bi), A Class Of Rare-earth Monopnictides With Complex 4f Electron Interactions, Exhibit Pressure-driven Phase Transitions That Yield Unique Physical Properties. This Review Synthesizes Theoretical Advancements From 2015 To 2025, Focusing On The Piezoelectric, Thermal Expansion, And Phonon Dynamical Properties Of HoX, Derived Using Density Functional Theory (DFT) And Lattice Dynamics. The Results Indicate Potential Applications In High-pressure Transducers And Thermal Management Systems, With Piezoelectric Coefficients Reaching Up To 4.5 PC/N For HoP And Thermal Expansion Coefficients As Low As 0.8×10⁻⁵ K⁻¹ Under Pressure. Computational Methodologies Are Critically Evaluated, Addressing Challenges In Modeling Strongly Correlated Systems, And Properties Are Benchmarked Against Industry Standards (e.g., PZT, Si, AlN). By Identifying Research Gaps And Proposing Future Directions, This Review Underscores HoX’s Prospects For Advancing Piezoelectric Devices And Thermal Stability In Extreme Environments, Paving The Way For Technological Innovation.

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