A5018044647- 2D Materials and Applications
- Topological Materials and Phenomena
- Advanced Condensed Matter Physics
- Graphene research and applications
- Magnetic and transport properties of perovskites and related materials
- Multiferroics and related materials
- Magnetic properties of thin films
- MXene and MAX Phase Materials
- Physics of Superconductivity and Magnetism
- Iron-based superconductors research
- Electronic and Structural Properties of Oxides
- Heusler alloys: electronic and magnetic properties
- Rare-earth and actinide compounds
- Quantum and electron transport phenomena
- Ferroelectric and Piezoelectric Materials
- Perovskite Materials and Applications
- Boron and Carbon Nanomaterials Research
- Quantum, superfluid, helium dynamics
- Chalcogenide Semiconductor Thin Films
- Quantum many-body systems
- Inorganic Chemistry and Materials
- High Entropy Alloys Studies
- Dendrimers and Hyperbranched Polymers
- ZnO doping and properties
- Quantum Dots Synthesis And Properties
Sun Yat-sen University
2021-2025
Nanchang University
2024
University of California, Irvine
2017-2021
State Key Laboratory of Surface Physics
2013-2018
Collaborative Innovation Center of Advanced Microstructures
2016-2018
Fudan University
1989-2018
Irvine Valley College
2018
University of California System
2018
Among the recently widely studied van der Waals layered magnets CrX3 (X=Cl, Br, I), CrCl3 monolayer (ML) is particularly puzzling as it solely shown by experiments to have an in-plane magnetic easy axis and, furthermore, all of previous first-principles calculation results contradict this. Through systematical calculations,we unveil that its shape anisotropy dominates over weak perpendicular magnetocrystalline responsible for ML. To tune ferromagnetism ML into desirable one, we propose...
Two-dimensional ferromagnet Cr2Ge2Te6 (CGT) is so resistive below its Curie temperature that probing magnetism by electrical transport becomes extremely difficult. By forming heterostructures with Pt, however, we observe clear anomalous Hall effect (AHE) in 5 nm thick Pt deposited on thin (< 50 nm) exfoliated flakes of CGT. The AHE hysteresis loops persist to ~ 60 K, which matches well the CGT obtained from bulk magnetization measurements. slanted a narrow opening indicate magnetic domain...
Topological surface states of Bi 2 Se 3 are magnetized by the two-dimensional ferromagnetic van der Waals CrI monolayer.
Electrical control of magnetic order in van der Waals (vdW) two-dimensional (2D) systems is appealing for high-efficiency and low-dissipation nanospintronic devices. For realistic applications, a vdW 2D material with ferromagnetic (FM) ferroelectric (FE) orders coexisting strongly coupling at room temperature urgently needed. Here we present potential candidate nonvolatile electric-field temperature. Using first-principles calculations, predict the coexistence room-temperature FM FE...
Magnetic skyrmions, topologically nontrivial whirling spin textures at nanometer scales, have emerged as potential information carriers for spintronic devices. The ability to efficiently create and erase magnetic skyrmions is vital yet challenging such applications. Based on first-principles studies, we find that switching between intrinsic skyrmion high-temperature ferromagnetic states can be achieved in two-dimensional van der Waals (vdW) multiferroic heterostructure CrSeI/In2Te3 by...
Arising from the extreme/saddle point in electronic bands, Van Hove singularity (VHS) manifests divergent density of states (DOS) and induces various new matter such as unconventional superconductivity. VHS is believed to exist one two dimensions, but rarely found three dimension (3D). Here, we report discovery 3D a topological magnet EuCd
Since catalytic performance of platinum–metal (Pt–M) nanoparticles is primarily determined by the chemical and structural configurations outermost atomic layers, detailed knowledge distribution Pt M surface atoms crucial for design Pt–M electrocatalysts with optimum activity. Further, an understanding how composition structure may be controlled external means useful their efficient production. Here, we report our study dynamics involved in facet-dependent oxidation equilibrium-shaped Pt3Co...
Using the first-principles calculations, we systematically investigated magnetic properties of a $\mathrm{MnB}{\mathrm{i}}_{2}\mathrm{T}{\mathrm{e}}_{4}$ (MBT) monolayer in contact with $\mathrm{II}{\mathrm{I}}_{2}\text{\ensuremath{-}}\mathrm{V}{\mathrm{I}}_{3}$ two-dimensional ferroelectric substrates. As electric polarization films is switched, semiconductor to half-metal transition occurs MBT, and its easy axis several cases reorients. an example, Curie temperature...
Recent experiments reveal that the honeycomb ruthenium trichloride $\ensuremath{\alpha}\ensuremath{-}\mathrm{RuC}{\mathrm{l}}_{3}$ is a prime candidate of Kitaev quantum spin liquid (QSL). However, there no theoretical model which can properly describe its experimental dynamical response due to lack full understanding magnetic interactions. Here, we propose general scheme calculate interactions in systems (e.g., $\ensuremath{\alpha}\ensuremath{-}\mathrm{RuC}{\mathrm{l}}_{3}$) with...
Two-dimensional van der Waals Janus materials and their heterostructures offer fertile platforms for designing fascinating functionalities. Here, by means of systematic first-principles studies on monolayer Cr-based dichalcogenide halides CrYX (Y=S, Se, Te; X=Cl, Br, I), we find that CrSX (X=Cl, I) are the very desirable high TC ferromagnetic semiconductors with an out-of-plane magnetization. Excitingly, benefit large magnetic moments ligand S2- anions, sought-after large-gap quantum...
By combining genetic algorithm optimizations, first-principles calculations and the double-exchange model studies, we have revealed that exotic insulating ferromagnetism in ${\text{LaMnO}}_{3}$ thin film originates from previously unreported G-type ${d}_{3{z}^{2}\ensuremath{-}{r}^{2}}/\phantom{\rule{0.0pt}{0ex}}{d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ orbital ordering. An gap opens as a result of both ordering strong electron-phonon coupling. Therefore, there exist two strain-induced phase...
Two-dimensional (2D) metal-diboride ZrB2 monolayers was predicted theoretically as a stable new electronic material (Lopez-Bezanilla 2018 Phys. Rev. Mater. 2 011002). Here, we investigate its transport properties along the zigzag (z-ZrB2) and armchair (a-ZrB2) directions, using density functional theory non-equilibrium Green's function methods. Under low biases, 2D shows similar electrical directions electric current propagates mostly via metallic Zr–Zr bonds. However, it an anistropy under...
Synthesizing concave-structured nanoparticles (NP) with high-index surfaces offers a viable method to significantly enhance the catalytic activity of NPs. Current approaches for fabricating concave NPs, however, are limited. Exploring novel synthesis methods requires thorough understanding competing mechanisms that contribute evolution surface structures during NP growth. Here, by tracking Pd nanocubes into NPs at atomic scale using in situ liquid cell transmission electron microscopy, our...
We perform systematic first-principles calculations to investigate the spin-phonon coupling (SPC) of $\mathrm{C}{\mathrm{r}}_{2}\mathrm{G}{\mathrm{e}}_{2}\mathrm{T}{\mathrm{e}}_{6}$ (CGT) monolayer (ML). It is found that ${E}_{\mathrm{g}}$ phonon mode at $211.8\phantom{\rule{0.16em}{0ex}}\mathrm{c}{\mathrm{m}}^{\ensuremath{-}1}$ may have a SPC as large $3.19\phantom{\rule{0.16em}{0ex}}\mathrm{c}{\mathrm{m}}^{\ensuremath{-}1}$, it alters direct exchange interaction across Cr-Cr pairs. The...
Abstract High‐entropy ceramics (HECs) are solid solutions of inorganic compounds with one or more Wyckoff sites shared by equal near‐equal atomic ratios multi‐principal elements. Material design and property tailoring possibilities emerge from this new class materials. Herein, the discovery superconductivity 2.35 K topological properties in (Ti 0.2 Zr Nb Hf Ta )C high‐entropy carbide ceramic (HECC) is reported, which not observed before any investigated HECC. Density functional theory...
Previous methods for the evaluation of exfoliation two-dimensional (2D) layered materials have drawbacks in computational efficiency and are unable to describe cases with semi-infinite substrates. Based on a Green's function surface (GFS) model, here we develop new approach efficiently determine tendency 2D from their bulk crystals or By constructing appropriate configurations, may calculate energy more precisely quickly than traditional way slab model. Furthermore, GFS can provide...
The intrinsic spin-dependent transport properties of two types lateral VS2|MoS2 heterojunctions are systematically investigated using first-principles calculations, and their various nanodevices with novel designed. heterojunction diodes show a perfect rectifying effect promising for the applications Schottky diodes. A large spin-polarization ratio is observed A-type device pure spin-mediated current then realized. gate voltage significantly tunes rectification field-effect transistors...
Abstract High-temperature insulating ferrimagnetism is investigated in order to further reveal its physical mechanisms, as well identify potentially important scientific and practical applications relative spintronics. For example, double perovskites such Sr 2 FeOsO 6 Ca are shown have puzzling magnetic properties. The former a low-temperature antiferromagnet while the latter high-temperature ferrimagnet. In understand underlying we frustrated magnetism of A by employing density functional...
Borophane shows a perfect electrical anisotropy and is promising candidate for nano-switching materials with stable structure high ON/OFF ratio.
The electronic transport and photoelectric properties of hydrogenated borophene B4H4, which was realized in a recent experiment by Nishino [J. Am. Chem. Soc. 139, 13761 (2017)], are systematically investigated using the density functional theory non-equilibrium Green's function methods. We find that B4H4 exhibits perfect current-limiting effect has high (along zigzag direction) low armchair one) optional levels due to its strong electrical anisotropy. Moreover, can generate sizable...
ABSTRACT The quantum anomalous Hall effect (QAHE) has unique advantages in topotronic applications, but it is still challenging to realize the QAHE with tunable magnetic and topological properties for building functional devices. Through systematic first-principles calculations, we predict that in-plane magnetization induced Chern numbers C = ±1 out-of-plane high ±3 can be realized a single material candidate, which composed of van der Waals (vdW) coupled Bi MnBi2Te4 monolayers. switching...
Abstract Self-intercalated van der Waals magnets, characterized by self-intercalating native atoms into layered structures with intrinsic magnetism, exhibit a variety of novel physical properties. Here, using first-principles calculations and Monte Carlo simulations, we report self-intercalated ferromagnet, Cr 3 Ge 2 Te 6 , which has high Curie temperature 492 K. We find that is nearly half-metallic spin polarization reaching up to 90.9%. Due the ferromagnetism strong spin-orbit coupling...
Self-intercalated van der Waals magnets, characterized by self-intercalating native atoms into layered structures with intrinsic magnetism, exhibit a variety of novel physical properties. Here, using first-principles calculations and Monte Carlo simulations, we report self-intercalated ferromagnet, Cr$_3$Ge$_2$Te$_6$, which has high Curie temperature 492 K. We find that Cr$_3$Ge$_2$Te$_6$ is nearly half-metallic spin polarization reaching up to 90.9%. Due the ferromagnetism strong spin-orbit...