Raman Study of Layered Breathing Kagome Lattice Semiconductor Nb3Cl8

Niobium chloride (Nb3Cl8) is a layered 2D semiconducting material with many exotic properties including a breathing kagome lattice, a topological flat band in its band structure, and a crystal structure that undergoes a structural and magnetic phase transition at temperatures below 90 K. Despite being a remarkable material with fascinating new physics, the understanding of its phonon properties is at its infancy. In this study, we investigate the phonon dynamics of Nb3Cl8 in bulk and few layer flakes using polarized Raman spectroscopy and density functional theory (DFT) analysis to determine the material's vibrational modes, as well as their symmetrical representations and atomic displacements. We experimentally resolved 12 phonon modes, 5 of which are A1g modes while the remaining 7 are Eg modes, which is in strong agreement with our DFT calculation. Layer-dependent results suggest that the Raman peak positions are mostly insensitive to changes in layer thickness, while peak intensity and FWHM are affected. Raman measurements as a function of excitation wavelength (473-785 nm) show a significant increase of the peak intensities when using a 473 nm excitation source, suggesting a near resonant condition. Temperature-dependent Raman experiments carried out above and below the transition temperature did not show any change in the symmetries of the phonon modes, suggesting that the structural phase transition is likely from the high temperature P3m1 phase to the low-temperature R3m phase. Magneto-Raman measurements carried out at 140 and 2 K between -2 to 2 T show that the Raman modes are not magnetically coupled. Overall, our study presented here significantly advances the fundamental understanding of layered Nb3Cl8 material which can be further exploited for future applications.Comment: 18 pages, 8 figures, 1 tabl

Observation of flat and weakly dispersing bands in a van der Waals semiconductor Nb3Br8 with breathing kagome lattice

Niobium halides, Nb3X8 (X = Cl,Br,I), which are predicted two-dimensional magnets, have recently gotten attention due to their breathing kagome geometry. Here, we have studied the electronic structure of Nb3Br8 by using angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. ARPES results depict the presence of multiple flat and weakly dispersing bands. These bands are well explained by the theoretical calculations, which show they have Nb d character indicating their origination from the Nb atoms forming the breathing kagome plane. This van der Waals material can be easily thinned down via mechanical exfoliation to the ultrathin limit and such ultrathin samples are stable as depicted from the time-dependent Raman spectroscopy measurements at room temperature. These results demonstrate that Nb3Br8 is an excellent material not only for studying breathing kagome induced flat band physics and its connection with magnetism, but also for heterostructure fabrication for application purposes.Comment: 24 pages, 12 figures, Supplemental Material include