Related Experiment Video
Updated: Aug 23, 2025
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Two dimensional Zr2CO2/H-FeCl2van der Waals heterostructures with tunable band gap, potential difference and magnetic
Xianghui Duan1, Baozeng Zhou1, Xiaocha Wang1
1Tianjin Key Laboratory of Film Electronic & Communicate Devices, School of Integrated Circuit Science and Engineering, Tianjin University of Technology, Tianjin 300384, People's Republic of China.
Abstract:
Two dimensional (2D) van der Waals (vdW) heterostructures have potential applications in novel low dimensional spintronic devices due to their unique electronic and magnetic properties. Here, the electronic and magnetic properties of 2D Zr2CO2/H-FeCl2heterostructures are calculated by first principles calculations. The 2D Zr2CO2/H-FeCl2heterostructures are magnetic semiconductor. The electronic structure and magnetic anisotropy of Zr2CO2/H-FeCl2heterostructure can be regulated by the biaxial strain and external electric field. The band gap and potential difference of Zr2CO2/H-FeCl2heterostructure can be affected by in-plane biaxial strain. At a compressive strain of -8%, the Zr2CO2/H-FeCl2heterostructure becomes metallic. All of the Zr2CO2/H-FeCl2heterostructures are magnetic with in-plane magnetic anisotropy (IMA). The Zr2CO2/H-FeCl2heterostructure is a semiconductor at the electric field from -0.5 V Å-1to +0.5 V Å-1. Furthermore, Zr2CO2/H-FeCl2heterostructure shows IMA at the negative electric field, while it shows perpendicular magnetic anisotropy at the positive electric field. These results show that Zr2CO2/H-FeCl2heterostructure has potential applications in multifunctionalnanoelectronic devices.
Related Concept Videos
01:31Ferromagnetism
02:42Valence Bond Theory
01:12Fermi Level Dynamics
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
03:02Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...