A5101456864- Magnetic and transport properties of perovskites and related materials
- Electronic and Structural Properties of Oxides
- Analytical Chemistry and Sensors
- Copper-based nanomaterials and applications
- Heusler alloys: electronic and magnetic properties
- Gas Sensing Nanomaterials and Sensors
- Advanced Thermoelectric Materials and Devices
- Advanced Condensed Matter Physics
- Transition Metal Oxide Nanomaterials
- Atomic and Subatomic Physics Research
- MXene and MAX Phase Materials
- ZnO doping and properties
Harbin Institute of Technology
2016-2021
Harbin University
2018
Xiangtan University
2012
First-principles calculations are performed to study the magnetism mechanism in undoped ZnO and doped with nonmagnetic elements X (X = Li, Mg, Al). In ZnO, it is found that Zn vacancy spin-polarized a magnetic moment of 1.54 μB. The ferromagnetic coupling between two vacancies favorable energy band model used explain coupling. X, also attributed presence vacancies. introduction reduces formation stabilizes some extent.
Based on the density functional theory with generalized gradient approximation, adsorption behavior and optical properties of H2O molecules surface VO2 Pt loaded were calculated. The calculation results show that energy is −0.39 eV, bond length angle have not changed significantly, physisorption. Further research shows Pt/VO2 −1.76 has increasing by 4°. chemisorption. Subsequently, we calculated entire system found its light absorption capacity in visible region ranked as follows:...
The Polar discontinuity at heterointerface and the bare surface reconstructs electronic phase of perovskite oxides. This gives rise to confined free electrons which intrinsically transit material from band insulator metal. However, insulator-metal transition induced by holes has not been investigated so far due challenge in obtaining hole state Here, we propose a simple method whereby can be obtained via polar facet reorientation. In high polarity case, supported lift up O 2p subbands, split...
Abstract We study the spin-orbit interaction of two-dimensional electron/hole gas (2DEGs/2DHGs) on quasi-2D potassium niobates (KNs) via first-principles calculations. The strong surface polarity changes free states from 2DEGs to 2DHGs. in-plane dipole maintained 2D models leads giant Zeeman-type spin splitting, as high 566 meV for (001) c facet KN and 1.21 eV (111) KN. thickness-dependent splitting shows a linear relation with respect 1/ r , while corresponding polarization quantum has...