First-Principles Study on the (111) Surface of Half-Metallic CsN

Fully Spin-Polarized Nodal Loop Semimetals in Alkaline Metal Monochalcogenide Monolayers

“…Indeed, if one hole is doped into the CsS ML, a QAH state appears with a large nontrivial band gap of 86 meV (see panels a and b of Figure ). Note that doping one hole into the CsS ML corresponds to a doping concentration of 3.52 × 10 14 cm –2 , which can be achieved by the current experimental techniques. , Similar to CsS, CsP and CsAs host rich bulk phases and exhibit FM half-metallicity on the low-index surfaces. − The dynamical stability of CsP and CsAs MLs has been determined by calculating their phonon spectra, shown in Figure S3, which indicate the practical feasibility. Because CsP and CsAs are isostructural to CsS but one hole is less in their native states, we propose that CsP and CsAs MLs are intrinsic QAH insulators (see panels a and b of Figure ).…”

“…Note that doping one hole into CsS ML corresponds to a doping concentration of 3.52 × 10 14 cm −2 , which is achievable by the current experimental techniques 52,53. Similar to CsS, CsP and CsAs host rich bulk phases and exhibit FM half-metallicity on the low-indexed surfaces [54][55][56][57][58][59]. The dynamical stability of CsP and CsAs MLs has been testified by calculating their phonon spectra, shown in FigureS3, which indicate the practical feasibility.…”