Electronic and magnetic properties of CrI<sub>3</sub> nanoribbons and nanotubes

Electronic and magnetic properties of CrI₃ nanoribbons and nanotubes

Wang Ji-Zhang^{1, 2}, Huang Jian-Qi^{1, 2}, Wang Ya-Ning^{1, 2}, Yang Teng^{1, †}, Zhang Zhi-Dong¹

Tube-size dependence of electronic properties of CrI₃ nanotubes. (a) Top view and side view of two chiralities (left: ZZNT(6,0) and right: ACNT(6,6)). (b) The 1/W dependence of total energy normalized by the number of Cr atoms for both nanotubes and nanoribbons. For NT, W is defined as the perimeter of the tube W = π D , with D being the diameter. (c) Maximal magnetic moment of Cr atom as a function of inverse diameter 1/D. 2D CrI₃ sheet is also shown at 1/D = 0. (d) Band structures for ZZNT(6,0) and ACNT(6,6). (e) Band gap as a function of 1/D.