A5022026433- 2D Materials and Applications
- Rare-earth and actinide compounds
- Topological Materials and Phenomena
- Multiferroics and related materials
- Graphene research and applications
- Quantum and electron transport phenomena
- Inorganic Chemistry and Materials
- MXene and MAX Phase Materials
- Advanced Condensed Matter Physics
- Perovskite Materials and Applications
- ZnO doping and properties
- Superconductivity in MgB2 and Alloys
- Advanced Chemical Physics Studies
- Iron-based superconductors research
- Quantum many-body systems
- Magnetic Properties of Alloys
- Electronic and Structural Properties of Oxides
- Advanced Thermoelectric Materials and Devices
- High-pressure geophysics and materials
- Nuclear Materials and Properties
Institute of Applied Physics and Computational Mathematics
2020-2024
China Academy of Engineering Physics
2024
Beijing University of Chemical Technology
2021
Beijing Institute of Technology
2021
The determination of magnetic ground states in crystalline systems holds significant implications for both fundamental condensed matter physics and practical materials engineering. Marcasite-structured FeTe2, classified as a narrow-gap semiconductor, demonstrates anomalous behavior low-temperature experimental investigations. This study employs first-principles density functional theory (DFT) calculations combined with scanning tunneling microscopy/spectroscopy (STM/STS) to elucidate the...
This paper presents a theoretical study of the thermoelectric effect in quantum dot (QD) side-coupled to Majorana bound states (MBSs) formed at two ends Rashba nanowire. In low-temperature regime favorable for preparation MBSs, magnitude thermopower and figure merit (FOM) are both enhanced by or three orders upon optimizing QD-MBS coupling strength. addition, sign can be reversed changing strength, phenomenon that may useful detecting MBSs. The direct overlap between MBSs also changes...
As MoSSe has been successfully synthesized, it is expected that Janus structures would be newly developed as 2D materials with intriguing physical properties. Here, monolayer GdXY (with X/Y = Cl, Br, I), a ferromagnetic semiconductor high Curie temperature, predicted by density functional theory combined Monte Carlo simulations. The calculations show the cleavage energies of monolayers 2H-GdX2 (X I) and are about 0.21J/m2, which smaller than graphene. have semiconducting bandgaps in-plane...
Abstract The search for topological superconductivity (TSC) is currently an exciting pursuit, since non-trivial superconducting phases could host exotic Majorana modes. However, the difficulty in fabricating proximity-induced TSC heterostructures, sensitivity to disorder and stringent restrictions of intrinsic place serious limitations formidable challenges on materials related applications. Here, we report a new type TSC, namely surface (IS-TSC) demonstrate it layered AuSn 4 with T c 2.4 K....
Two-dimensional (2D) ferrovalley semiconductor materials with intrinsic spontaneous valley polarization offer new prospects for electronics applications. However, there are only a limited number of known promising candidate materials, which in urgent need expansion. In particular, the room-temperature 2D still lacking. this study, we predicted novel ferromagnetic CeX2 (X=Fe,Cl,Br) monolayers by using first-principles calculations. The monolayer is bipolar magnetic robust dynamical and...
We theoretically provide a magnetic phase diagram for the single-layer (SL) CrBr 3 , which could be effectively tuned by both strain engineering and charge doping in SL-CrBr . Through systematical first-principles calculations Heisenberg model Hamiltonian simulations, three different phases are off-plane ferromagnetic, in-plane ferromagnetic Néel-antiferromagnetic phases, found regimes we studied. Furthermore, our results show that higher order exchange parameters anisotropy should taken...
GdI2 monolayer is a promising material for spintronics applications due to its robust room-temperature ferromagnetism and sizable valley polarization. In two-dimensional van der Waals magnets, interlayer magnetic coupling plays crucial role in device applications. The performance of these devices can be effectively tuned by adjusting the stacking order, charge doping, strain. By performing first-principles calculations, we have demonstrated that bilayer highly dependent on which between...
We propose an interferometer composing of a scanning tunneling microscope (STM), double quantum dots (DQDs), and semiconductor nanowire carrying Majorana bound states (MBSs) at its ends induced by the proximity effect s-wave superconductor, to probe existence MBSs in dots. Our results show that when energy levels DQDs are aligned MBSs, zero-energy spectral functions always equal 1/2, which indicates formation is also responsible for zero-bias conductance peak. findings suggest may be...
The magnetic ground state is crucial for the applications of two-dimension magnets as it decides fundamental properties material, such order, transition temperature, and low-energy excitation spin waves. However, simulations magnetism local-electron systems are challenging due to existence metastable states. In this study, occupation matrix control (OMC) density functional theory plus Hubbard $U$ calculations applied investigate monolayer CeI$_{2}$. Following predicted ferrimagnetic (FM) FM...
The magnetic ground state is crucial for applications of two-dimension magnets because it determines the fundamental properties material, such as order, transition temperature, and low-energy excitation spin waves. However, simulations magnetism local-electron systems are challenging due to existence metastable states. In this study, occupation matrix control density functional theory plus Hubbard's $U$ calculations applied investigate monolayer ${\mathrm{CeI}}_{2}$. Following predicted...
Magnetic van der Waals (vdW) layered materials has inspired enormous interest recently by utilizing the spin degree of freedom for applications in next-generation 2D spintronic devices. Among these materials, MnBi2Te4 provides topological bands and alternating ferromagnetic / antiferromagnetic ordering simultaneously, thus serves as an ideal system promising spintronics. However, many controversies discrepancies between theoretical predictions experimental observations remain unclarified,...
The magnetic states of the strongly correlated system plutonium dioxide (PuO 2 ) are studied based on density functional theory (DFT) plus Hubbard U (DFT+ method with spin–orbit coupling (SOC) included. A series typical structures including multiple- k types simulated and compared in aspect atomic structure total energy. We test LDA, PBE, SCAN exchange–correlation functionals PuO a longitudinal 3 antiferromagnetic (AFM) ground state is theoretically determined. This has been identified to be...
Two-dimensional ferro-valley magnetic materials have attracted a lot of attention due to the applications in valley-based nonvolatile random access memories and valley filters. In this work, using first-principles calculations, we predict promising class bipolar semiconductors, namely non-Janus GdXY(X[[EQUATION]]Y=Cl,Br,I) monolayer, which exhibits excellent mechanical thermal stability, strong anisotropy (8 [[EQUATION]]B/Gd), high transition temperature (above 450 K). When magnetized along...