@article {602,
	title = {Interplay between anisotropic spin texture and large gap topological insulating phases in functionalized MXenes},
	journal = {Chinese J. Phys.},
	volume = {77},
	year = {2022},
	pages = {2346},
	abstract = {Massive attention has been given to two-dimensional (2D) MXenes due to their predicted topological phase and promising diverse applications. Using first-principles with hybrid functional calculations, we systematically conducted an extensive study on M$_{2}$C (M~=~Mo, or W) in 1T and 2H structures with various surface terminations T$_{2}$ (T~=~H, O, OH, F, Cl, Br, or I). Pristine Mo$_{2}$C and W$_{2}$C compounds are in the 2H phase. Upon functionalization of H, O, OH and F, they retain the 2H structure, whereas Cl, Br, and I functionalization, the structures transform to 1T phase. Notably, M$_{2}$CO$_{2}$ are found to be 2D topological insulators (TIs) with sizable nontrivial bandgaps as large as 666~meV. Interestingly, 2H M$_{2}$CO$_{2}$ exhibits not only large-gapped Zeeman-type spin splitting at K-point but also anisotropic Rashba spin splitting at Γ-point. The successful synthesis of pristine Mo$_{2}$C and our theoretical study pave a path for future applications of MXene-based 2D TIs.},
	doi = {10.1016/j.cjph.2022.04.012},
	author = {Aniceto B. Maghirang and Gennevieve Macam and Ali Sufyan and Zhi-Quan Huang and Chia-Hsiu Hsu and Feng-Chuan Chuang}
}
