A5024452372- 2D Materials and Applications
- Electronic and Structural Properties of Oxides
- Advanced Memory and Neural Computing
- Perovskite Materials and Applications
- Semiconductor materials and devices
- Magnetic and transport properties of perovskites and related materials
- Magnetic properties of thin films
- MXene and MAX Phase Materials
- Machine Learning in Materials Science
- Heusler alloys: electronic and magnetic properties
- Advanced Condensed Matter Physics
- Multiferroics and related materials
- Ferroelectric and Negative Capacitance Devices
- Advanced Battery Technologies Research
- Iron-based superconductors research
- Advanced Battery Materials and Technologies
- Advancements in Battery Materials
- Physics of Superconductivity and Magnetism
- Surface and Thin Film Phenomena
- Spectral Theory in Mathematical Physics
- Data Stream Mining Techniques
- Magneto-Optical Properties and Applications
- Chalcogenide Semiconductor Thin Films
- Electron and X-Ray Spectroscopy Techniques
- Ferroelectric and Piezoelectric Materials
Samsung (United States)
2023
Oak Ridge National Laboratory
2022-2023
Cornell University
2018-2020
Carnegie Mellon University
2014-2018
A van der Waals heterostructure of monolayer WSe 2 and ferromagnetic CrI 3 enables exceptional control valley pseudospin.
We report the connection between stacking order and magnetic properties of bilayer CrI$_3$ using first-principles calculations. show that defines ground state. By changing interlayer one can tune exchange interaction antiferromagnetic ferromagnetic. To measure predicted stacking-dependent magnetism, we propose linear magnetoelectric effect. Our results not only gives a possible explanation for observed antiferromagnetism in but also have direct implications heterostructures made...
Layered transition metal trichalcogenides with the chemical formula $ABX_3$ have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we investigate magnetic ground states of monolayers Mn- and Cr-based semiconducting trichalcogenides. We show that second third nearest-neighbor exchange interactions ($J_2$ $J_3$) between ions, which been largely overlooked in previous theoretical studies, are...
Systems simultaneously exhibiting superconductivity and spin-orbit coupling are predicted to provide a route toward topological unconventional electron pairing, driving significant contemporary interest in these materials. Monolayer transition-metal dichalcogenide (TMD) superconductors particular lack inversion symmetry, yielding an antisymmetric form of that admits both spin-singlet spin-triplet components the superconducting wavefunction. Here, we present experimental theoretical study two...
Using symmetry arguments and a tight-binding model, we show that for layered collinear antiferromagnets, magneto-optic effects can be generated manipulated by controlling crystal symmetries through gate voltage. This provides promising route electric field manipulation of the without modifying underlying magnetic structure. We further demonstrate control Kerr effect (MOKE) in bilayer ${\mathrm{MnPSe}}_{3}$ using first-principles calculations. The field-induced inversion breaking leads to...
A tabletop setup for imaging antiferromagnetic order shows how electron spin domains in a thin film of NiO respond to an external electric current, useful insight building fast computer memories.
Despite ongoing efforts aimed at increasing energy density in all-solid-state batteries (ASSBs), the optimal composite cathode morphology, which requires minimal volume change, small void development, and good interfacial contact, remains a significant concern within community. In this work, we focus on theoretical investigation of aforementioned mechanical defects during electrochemical cycling. It is demonstrated that these are highly dependent solid electrolyte (SE) material properties,...
We report measurements of current-induced torques in heterostructures Permalloy (Py) with TaTe2, a transition-metal dichalcogenide (TMD) material possessing low crystal symmetry, and observe torque component Dresselhaus symmetry. suggest that the dominant mechanism for this is not spin–orbit but rather Oersted field arising from current flows perpendicular to applied voltage due resistance anisotropy within TaTe2. This type transverse present wires made single uniform layer will result...
Transition-metal dichalcogenides containing tellurium anions show remarkable charge-lattice modulated structures and prominent interlayer character. Using cryogenic scanning transmission electron microscopy (STEM), we map the atomic-scale of high temperature (HT) low (LT) phases in $1{T}^{\ensuremath{'}}\text{\ensuremath{-}}{\mathrm{TaTe}}_{2}$. At HT, directly in-plane metal distortions which form trimerized clusters staggered, three-layer stacking. In LT phase at 93 K, visualize an...
Using first-principles calculations and group-theory-based models, we study the stabilization of ferrielectricity (FiE) in ${\mathrm{CuInP}}_{2}{\mathrm{Se}}_{6}$. We find that FiE ground state is stabilized by a large anharmonic coupling between polar mode fully symmetric Raman-active mode. Our results open possibilities for controlling single-step switching barrier polarization tuning discuss implications our findings context designing next-generation optoelectronic devices can overcome...
We investigate the surface electronic structure and thermodynamic stability of ${\text{SrTiO}}_{3}$ (111) slabs using density functional theory. observe that, for Ti-terminated it is indeed possible to create a two-dimensional electron gas (2DEG). However, carrier 2DEG displays strong thickness dependence due competition between reconstruction polar distortions. As expected, having oxygen atom at Ti termination can stabilize system, eliminating any reconstruction, thereby making system...
The electronic structure of $\mathrm{SrTi}{\mathrm{O}}_{3}(001)$ surfaces was studied using scanning tunneling spectroscopy and density-functional theory. With high dynamic range measurements, an in-gap transition level observed on SrO-terminated surfaces, at 2.7 eV above the valence band maximum. density centers responsible for this found to increase with surface segregation oxygen vacancies decrease exposure molecular oxygen. Based these findings, is attributed O vacancies. A a similar...
Using first-principles calculations we model the out-of-plane switching of local dipoles in CuInP$_2$S$_6$ (CIPS) that are largely induced by Cu off-centering. Previously, a coherent polarization via quadruple-well potential was proposed for these materials. In super-cells considered, find multiple structures with similar energies but different polar order. Our results suggest individual weakly coupled in-plane and under an electric field at very low temperatures CIPS should undergo...
Using first-principles calculations we model the out-of-plane switching of local dipoles in ${\mathrm{CuInP}}_{2}{\mathrm{S}}_{6}$ (CIPS) that are largely induced by Cu off-centering. Previously, a coherent polarization via quadruple-well potential was proposed for these materials. In supercells considered, find multiple structures with similar energies but different polar order. Our results suggest individual weakly coupled in-plane, and under an electric field at very low temperatures CIPS...
Received 7 February 2014DOI:https://doi.org/10.1103/PhysRevB.89.079902©2014 American Physical Society