Serendipity of a topological nontrivial band gap in the 2D borophene subunit lattice with broken mirror symmetry
Literature Information
Lei Shen, Mingwen Zhao, Xiaoming Zhang, Tao He, Weifeng Li, Yuanping Feng
The exotic electronic band structures featured by Dirac cones and topological phases in two-dimensional (2D) materials are regarded as the holy grail of the next-generation electronic devices. Here we propose a 2D tungsten boride (WB4) lattice to concurrently host these interesting properties. Based on first-principles calculations, we demonstrate that in the absence of spin–orbit coupling (SOC), the mirror symmetry protects the WB4 lattice to spawn multiple Dirac bands around the Fermi level with high velocities. However, the broken mirror symmetry induces one cone to be opened with a small band gap, and gives rise to a nontrivially topological phase characterized by the non-zero Z2 topological invariant. Interestingly, topologically nontrivial states of the lattice without mirror symmetry are robust within external biaxial tension, which is confirmed from the appearance of gapless edge states in their nanoribbon structure. Our results provide a versatile platform for hosting nontrivial topological states usable for important nanoelectronic device applications.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.













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