Fig. 3: The stability and magnetism of the TbCl monolayer. | npj Computational Materials

Fig. 3: The stability and magnetism of the TbCl monolayer.

From: 5d orbital induced room temperature quantum anomalous Hall effect in TbCl

Fig. 3: The stability and magnetism of the TbCl monolayer.The alt text for this image may have been generated using AI.

a Calculated exfoliation energy vs. separation distance (dd0). The inset shows the side view of the five-layer slab model. b Phonon spectra of the TbCl monolayer. The inset shows the Brillouin zone. c Side view of monolayer TbCl. J1 and J2 are the nearest and next-nearest neighboring exchange couplings, respectively. dh The magnetic configuration of Zigzag-z, Neel-z, Zigzag-x, Neel-x, and 120 type antiferromagnetic structure. i Illustration of the local coordinates \({x}^{{\prime} }-{y}^{{\prime} }-{z}^{{\prime} }\) along the Tb-Cl bonds. The light red, blue, and green colors label the \({x}^{{\prime} }{y}^{{\prime} }\), \({x}^{{\prime} }{z}^{{\prime} }\), \({y}^{{\prime} }{z}^{{\prime} }\) planes, respectively. The global \({d}_{{z}^{2}}\) orbital is represented by the orange ball. The inset shows the side view of the local coordinates. j The magnetization (blue dot-line) and specific heat (red dot-line) depending on the temperature.

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