Porous-b: a Topological Semimetal with Coexisting Nodal-Line and Nodal-Surface States Stable up to 1000 K

Topological semimetals represent a fascinating frontier in materials science, promising exotic electronic properties and potential technological applications, and researchers are now focusing on materials that combine multiple types of topological features. Xiao-jing Gao from Yanshan University, alongside Yanfeng Ge and Xiao-jing Gao, predict a novel boron allotrope, named Porous-B, which uniquely hosts both nodal lines and nodal surfaces within its electronic structure. This material stands out due to its remarkably clean band structure and exceptional stability, remaining robust up to 1000 Kelvin, and importantly, the arrangement of these topological features is not merely coexistence, but a carefully intertwined network. The discovery of Porous-B offers an ideal platform for exploring the fundamental interplay between these different types of topological fermions and could unlock new avenues for advanced electronic devices and materials.

Boron Allotrope’s Unique Electronic Topology Revealed

This research details the prediction of a novel boron allotrope and demonstrates its potential as a topological material, exhibiting unique electronic behaviors. Scientists employed sophisticated computational methods to establish the material’s structure and characteristics, focusing on its electronic properties and topological features. These calculations revealed a unique combination of electronic properties, including a nodal-line semimetal phase and Dirac-like surface states. The material’s topological features are confirmed through calculations of topological invariants, demonstrating its non-trivial electronic structure. The research also predicts that the material exhibits non-collinear magnetism and spin-polarized surface states, further enhancing its potential for technological applications. This combination of properties positions the boron allotrope as a promising candidate for future electronic devices, potentially enabling new functionalities and improved performance.

Porous Boron Allotrope, a Topological Semimetal

Researchers have predicted the existence of a novel boron allotrope, named Porous-B, and demonstrated its properties as a topological semimetal. Detailed computational analysis defined the material’s structure and characteristics, focusing on its electronic behavior. Structural optimization and phonon spectrum calculations confirmed the material’s dynamical stability, indicating its structural integrity even at elevated temperatures. Further assessment through molecular dynamics simulations confirmed its thermal stability. Detailed analysis of the material’s topological properties and surface states revealed a unique combination of features, establishing it as an ideal platform for exploring novel electronic phenomena. The team constructed a tight-binding Hamiltonian to further understand the material’s band structure and topological properties, revealing the presence of unique surface states. These findings suggest potential applications in future technological advancements.

Porous-B18 Exhibits Exceptional Stability and Topology

Porous-B18, a newly predicted boron allotrope, presents a remarkable combination of structural stability and unique electronic properties, establishing it as an ideal topological semimetal. Calculations demonstrate exceptional dynamical, thermal, and mechanical stability, with the structure remaining intact even at temperatures up to 1000 K. This stability arises from a honeycomb-like porous framework, resulting in a high bulk modulus and indicating a robust material. The calculated formation energy suggests that this allotrope is energetically favorable compared to several previously reported boron structures.

The electronic band structure is characterized by a remarkably clean two-band crossing, a defining feature of its topological nature. Detailed analysis reveals the coexistence of a nodal surface and two nodal lines near the Fermi level, protected by fundamental symmetries. These interconnected nodal features establish Porous-B18 as a promising platform for investigating the interplay between topological fermions and exploring novel transport phenomena. This unique combination of properties positions it as a strong candidate for future materials research.

Porous Boron, Interconnected Topological Features Predicted

Scientists have successfully predicted the existence of a novel boron allotrope, named Porous-B, which represents a significant advancement in the field of topological materials. Through detailed computational analysis, researchers demonstrate that this unique three-dimensional structure exhibits both nodal lines and nodal surfaces within its electronic band structure, a combination rarely observed in a single material. These topological features, protected by fundamental symmetries, are directly interconnected, offering a pristine platform to investigate the interplay between one-dimensional and two-dimensional topological fermions. The material’s electronic structure is remarkably clean, free from interfering bands near crucial energy levels, and requires no consideration of spin-orbit coupling.

Calculations confirm its dynamical, thermal, and mechanical stability up to 1000 K, suggesting that its synthesis may be achievable. The honeycomb-like porous framework also presents potential for applications beyond fundamental physics, including catalysis, ion transport, and energy storage. This research provides a strong foundation for future experimental verification and exploration of its technological potential.