Discovery of Clustered-P1 Borophene and Its Application as the Lightest High-Performance Transistor

The two-dimensional network of boron atoms (borophene) has attracted attention for its ultralow molar mass and remarkable polymorphism. Synthesized polymorphs of borophene (striped, β 12, χ 3, and honeycomb), so far, are all found to be metallic. Employing a genetic algorithm-based structure searching technique, here we discover an allotrope, clustered-P1, which is located very close to the global energy minimum. Clustered-P1 exhibits a bulk silicon-like band gap (1.08 eV) with symmetric effective masses (∼0.2 m 0 ) for electrons and holes along the transport direction. Phonon dispersion and beyond room-temperature ab initio molecular dynamics studies further confirm its excellent dynamic and structural stability. Since two-dimensional semiconductors are promising silicon alternatives for complementary metal-oxide semiconductor (CMOS) technology extension, we further investigate the characteristics of clustered-P1-based transistors using self-consistent quantum transport models for channel lengths of 10–3 nm. The performance of these devices has been found to be balanced for p- and n-type transistors and meets the requirements of the International Roadmap for Devices and Systems (IRDS). Our study may aid in the experimental realization of the lightest high-performance transistor.