CrI3 bulk DOS - 简书
2018年4月14日 · 以下是 CrI3 bulk 的 pdos (partial density of states) 图，是 PBE+vdw 的计算结果。 由于我们 POSCAR 里前六个原子是 I， 后两个原子是 Cr，故图像中 P_0 曲线对应的就是 I …
Modulating the electronic and optical properties of CrI3/In2Se3 …
2024年6月1日 · Here, we construct the CrI3 /α-In 2 Se 3 vdWH and regulate its band structure, magnetism and optical absorption through external fields. The intrinsic vdWH possesses type …
CrI3/Arsenene vdW heterstructure: Outstanding physical …
2024年10月1日 · The PDOS near the Fermi level displays that the spin-α and spin-β VBM states are mainly derived from I-p orbitals, and the spin- α CBM state is principally contributed by Cr …
The projected density states (PDOS) of Cr d and I p orbitals in CrI3 ...
... explore the effects of interlayer interactions on the electronic structure of CrI 3 layer, we plot the atomic projected density of states (PDOS) in Fig. 2. For comparison, we also depict...
Remarkably enhanced Curie temperature in monolayer CrI3 by …
2020年10月1日 · Recently, ferromagnetic order with out-of-plane easy axis in a monolayer of CrI 3 has been observed and reported, with a Curie temperature of 45 K. Here we study, using …
TDOS and band structure of pristine CrI3 monolayer (a), and PDOS …
This is also reflected in the projected density of states (PDOS), as shown in Fig. 3-b, where the top of the valence band and bottom of the conduction band are formed mostly by spin-up p …
(a) Schematic diagram, (b) band structures and PDOS of
Recent fabrication of chromium triiodide (CrI3) monolayers has raised potential prospects of developing two-dimensional (2D) ferromagnetic materials for spintronic device applications....
Tuning electronic properties and ferromagnetism of CrI3
2022年4月12日 · To begin with, we present the spectra of the band structure and partial density of states (PDOS) of the CrI 3 monolayer, as shown in figure 2. In figure 2 (a) one can find that …
Electronic and magnetic properties of CrI3 nanoribbons and …
2019年7月1日 · In this paper, we studied the edge configuration and size dependent electronic and magnetic properties of CrI 3 nanoribbons (NRs) and nanotubes (NTs) by using first …
Magnetic tunneling junctions based on 2D CrI3 and CrBr3
2021年12月2日 · The results indicate that the filtering effects of the two MTJs are different, which is explained by projected density of states (PDOS), the transmission spectrum, and band …