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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Interplay of electronic structure, magnetism, strain, and defects in carbide $\mathrm{MX}$enes

We report the two-dimensional (2D) magnetic and semiconducting materials, including carbide MXenes, are in high demand for magneto-electronic devices and applications. Here, we report a first-principles study of electronic structure and magnetism of a Ti 2 C MXene, its derivatives Ti 2 CT 2 (T = -F, -O, -OH, -H), and the effect of single vacancy defects (25% C, 12.5% O, and 12.5% and 5.5% Ti) and transition metal (V, Cr, Mn, and Co) dopings. The MAX phase Ti 2 AlC is a non-magnetic (NM) metal which upon removal of Al layer forms a pristine Ti 2 C MXene with A-type antiferromagnetic (AFM) semiconductor having reliable transition temperature (T N = 41K) predicted by the Heisenberg model. All the functionalized MXenes are stable as NM metal except for Ti 2 CO 2 which remains semiconducting with NM ground state. The significant effect of spin–orbit coupling (SOC) is evident in the band structure forming Dirac-like cones and band inversions near the Fermi level. Depending upon the type of vacancy defects Ti 2 CO 2 is NM metal and ferromagnetic (FM) metal. The transition metal (TM) doped MXenes fulfill FM Stoner criterion. The V- and Co-doped MXenes are metals, whereas Cr- and Mn-doped are half-metal and semiconductor.

2D magnetism↗
DOE OSTI2021

Nematic order driven by superconducting correlations

The interplay of nematicity and superconductivity has been observed in a wide variety of quantum materials. To explore this interplay, we consider a two-dimensional (2D) array of nematogens, local droplets with Z 3 nematicity, coupled to a network of Josephson junction wires. Using finite temperature classical Monte Carlo simulations, we elucidate the phase diagram of this model and show that the development of superconducting correlations and the directional delocalization of Cooper pairs can promote nematogen ordering, resulting in long-range nematic order. We obtain the transport properties of our model within an effective resistor network picture. We discuss these ideas in the context of the 2D electron gas at the (111) KTaO 3 interface and the doped topological insulators Nb x Bi 2 Se 3 and Cu x Bi 2 Se 3 . Overall, our work makes contact with Phil Anderson’s numerous contributions to broken symmetries driven by the saving of kinetic energy, including double exchange ferromagnetism and the interlayer tunneling theory of high Tc csuperconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Anomalous Thermal Hall Effect in an Insulating van der Waals Magnet

Two-dimensional (2D) van der Waals (vdW) magnets have been a fertile playground for the discovery and exploration of physical phenomena and new physics. In this Letter, we report the observation of an anomalous thermal Hall effect (THE) with κ xy ~ 1 × 10 -2 WK -1 m -1 in an insulating van der Waals ferromagnet VI 3 . The thermal Hall signal persists in the absence of an external magnetic field and flips sign upon the switching of the magnetization. In combination with theoretical calculations, we show that VI 3 exhibits a dual nature of the THE, i.e., dominated by topological magnons hosted by the ferromagnetic honeycomb lattice at higher temperatures and by phonons induced by the magnon-phonon coupling at lower temperatures. Our results not only position VI 3 as the first ferromagnetic system to investigate both anomalous magnon and phonon THEs, but also render it as a potential platform for spintronics-magnonics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Percolative phase transition in few-layered MoSe 2 field-effect transistors using Co and Cr contacts

The metal-to-insulator phase transition (MIT) in two-dimensional (2D) materials under the influence of a gating electric field has revealed interesting electronic behavior and the need for a deeper fundamental understanding of electron transport processes, while attracting much interest in the development of next-generation electronic and optoelectronic devices. Although the mechanism of the MIT in 2D semiconductors is a topic under debate in condensed matter physics, our work demonstrates the tunable percolative phase transition in few-layered MoSe 2 field-effect transistors (FETs) using different metallic contact materials. Here, we attempted to understand the MIT through temperature-dependent electronic transport measurements by tuning the carrier density in a MoSe 2 channel under the influence of an applied gate voltage. In particular, we have examined this phenomenon using the conventional chromium (Cr) and ferromagnetic cobalt (Co) as two metal contacts. For both Cr and Co, our devices demonstrated n-type behavior with a room-temperature field-effect mobility of 16 cm 2 V −1 s −1 for the device with Cr-contacts and 92 cm 2 V −1 s −1 for the device with Co-contacts, respectively. Further, with low temperature measurements at 50 K, the mobilities increased significantly to 65 cm 2 V −1 s −1 for the device with Cr and 394 cm 2 V −1 s −1 for the device with Co-contacts. By fitting our experimental data to the percolative phase transition theory, the temperature-dependent conductivity data show a transition from an insulating-to-metallic behavior at a bias of ∼28 V for Cr-contacts and ∼20 V for Co-contacts. This cross-over of the conductivity can be attributed to an increase in carrier density as a function of the gate bias in temperature-dependent transfer characteristics. By extracting the critical exponents, we find that the transport behavior in the device with Co-contacts aligns closely with the 2D percolation theory. In contrast, the devices with Cr-contacts deviate significantly from the 2D limit at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Carrier- and strain-tunable intrinsic magnetism in two-dimensional $MAX_3$ transition metal chalcogenides

Here, we present a density functional theory study of the carrier-density and strain dependence of magnetic order in two-dimensional (2D) $MAX_3$ ($\textit{M}$ = V, Cr, Mn, Fe, Co, Ni; $\textit{A}$ = Si, Ge, Sn; and $\textit{X}$ = S, Se, Te) transition metal trichalcogenides. Our ab initio calculations show that this class of compounds includes wide and narrow gap semiconductors, metals, and half-metals, and that most of these compounds are magnetic. Although antiferromagnetic order is most common, ferromagnetism is predicted in $\textit{M}$SiSe 3 for $\textit{M}$ = Mn and Ni; in $\textit{M}$SiTe 3 for $\textit{M}$ = V and Ni; in MnGeSe 3 ; $\textit{M}$GeTe 3 for $\textit{M}$ = Cr, Mn, and Ni; in FeSnS 3 ; and in MSnTe 3 for $\textit{M}$ = V, Mn, and Fe. Among these compounds CrGeTe 3 , VSnTe 3 , and CrSnTe 3 are ferromagnetic semiconductors. Our calculations suggest that the competition between antiferromagnetic and ferromagnetic order can be substantially altered by strain engineering, and in the semiconductor case also by gating. The associated critical temperatures can be enhanced by means of carrier doping and strains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

High-resolution magnetic microscopy applications using nitrogen-vacancy centers in diamond

Magnetic microscopy with high spatial resolution helps to solve a variety of technical problems in condensed-matter physics, electrical engineering, biomagnetism, and geomagnetism. In this work we used quantum diamond magnetic microscope (QDMM) setups, which use a dense uniform layer of magnetically-sensitive nitrogen-vacancy (NV) centers in diamond to image an external magnetic field using a fluorescence microscope. We used this technique for imaging few-micron ferromagnetic needles used as a physically unclonable function (PUF) and to passively interrogate electric current paths in a commercial 555 timer integrated circuit (IC). As part of the QDMM development, we also found a way to calculate ion implantation recipes to create diamond samples with dense uniform NV layers at the surface. This work opens the possibility for follow-up experiments with 2D magnetic materials, ion implantation, and electronics characterization and troubleshooting.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Computational discovery of two-dimensional rare-earth iodides: promising ferrovalley materials for valleytronics

Two-dimensional Ferrovalley materials with intrinsic valley polarization are rare but highly promising for valley-based nonvolatile random access memory and valley filter devices. These ferromagnetic materials exhibit valleys at or near the Fermi level with intrinsic magnetism. The strong coupling between magnetism and spin–orbit coupling induces intrinsic valley polarization. Using Kinetically Limited Minimization, an unconstrained crystal structure prediction algorithm, and prototype sampling based on first-principles calculations, we have discovered new Ferrovalley materials, rare-earth iodides RI 2 , where R is a rare-earth element belonging to Sc, Y, or La-Lu, and I is Iodine. The rare-earth iodides are layered and demonstrate either 2H, 1T, or 1T d phase as the ground state in bulk, analogous to transition metal dichalcogenides (TMDCs). The calculated exfoliation energy of monolayers (MLs) is comparable to that of graphene and TMDCs, suggesting possible experimental synthesis. The MLs in the 2H phase exhibit ferromagnetism due to unpaired electrons in d and f orbitals. Throughout the rare-earth series, d bands have valley polarization at K and $\overline{K}$ points in the Brillouin zone in the vicinity of the Fermi level. Large intrinsic valley polarization in the range of 15–143 meV without external stimuli is observed in these Ferrovalley materials, which can be enhanced further by applying an in-plane bi-axial strain. These valleys can selectively be probed and manipulated for information storage and processing, potentially offering superior performance beyond conventional electronics and spintronics. Here we further show that the 2H ferromagnetic phase of RI 2 MLs possesses non-zero Berry curvature and exhibits anomalous valley Hall effect with considerable anomalous Hall conductivity. Our work will incite exploratory synthesis of the predicted Ferrovalley materials and their application in valleytronics and beyond.

2D materials↗
DOE OSTI2024

Distinguishing surface and bulk electromagnetism via their dynamics in an intrinsic magnetic topological insulator

The indirect exchange interaction between local magnetic moments via surface electrons has been long predicted to bolster the surface ferromagnetism in magnetic topological insulators (MTIs), which facilitates the quantum anomalous Hall effect. This unconventional effect is critical to determining the operating temperatures of future topotronic devices. However, the experimental confirmation of this mechanism remains elusive, especially in intrinsic MTIs. Here, we combine time-resolved photoemission spectroscopy with time-resolved magneto-optical Kerr effect measurements to elucidate the unique electromagnetism at the surface of an intrinsic MTI MnBi 2 Te 4 . Theoretical modeling based on 2D Ruderman-Kittel-Kasuya-Yosida interactions captures the initial quenching of a surface-rooted exchange gap within a factor of two but overestimates the bulk demagnetization by one order of magnitude. This mechanism directly explains the sizable gap in the quasi-2D electronic state and the nonzero residual magnetization in even-layer MnBi 2 Te 4 . Furthermore, it leads to efficient light-induced demagnetization comparable to state-of-the-art magnetophotonic crystals, promising an effective manipulation of magnetism and topological orders for future topotronics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Temperature effects in spin-dependent Hall currents in an ideal skyrmion gas

The quest of novel reliable and fast performing logic and memory elements in classical and quantum computing requires discoveries of new effects in novel quantum materials. Skyrmions are such magnetic textures where electron scattering can essentially change the shape and location of the skyrmion, which can be used as a memory element being more efficient than domain walls as memory device in classical computing. Because the skyrmion motion is sensitive even to very small currents, we study electron scattering by skyrmions in an ideal skyrmion gas in ferromagnetic environment. In such systems, the direct and Hall currents become spin-dependent. For applications it is important to consider a Hall effect in the whole range of temperatures under the assumption of the skyrmion existence. In this study we find the nonmonotonic temperature dependence of the direct spin-up conductivity, i. e., the conductivity for the current directed along the applied electric field due to the electrons with the spin parallel to the ferromagnetic moment. Such a behavior contradicts the traditional understanding where the temperature only increases the value of the conductivity. The spin-down Hall conductivity is found to be even more dramatic exhibiting the conductivity sign change (i.e., the change in the current direction) with temperature for small skyrmion sizes. The found effects strongly depend on Fermi energy. The most pronounced dependencies take place if the Fermi energy is slightly below and above the bottom of the upper (spin-down) energy band of an ideal 2D electron gas. In addition, we also find that the direct and Hall resistivities, ρ xx and ρ xy , are independent of the exchange integral J for 2J > ε F .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Distinct magneto-Raman signatures of spin-flip phase transitions in CrI 3

The discovery of 2-dimensional (2D) materials, such as CrI 3 , that retain magnetic ordering at monolayer thickness has resulted in a surge of both pure and applied research in 2D magnetism. Here, we report a magneto-Raman spectroscopy study on multilayered CrI 3 , focusing on two additional features in the spectra that appear below the magnetic ordering temperature and were previously assigned to high frequency magnons. Instead, we conclude these modes are actually zone-folded phonons. We observe a striking evolution of the Raman spectra with increasing magnetic field applied perpendicular to the atomic layers in which clear, sudden changes in intensities of the modes are attributed to the interlayer ordering changing from antiferromagnetic to ferromagnetic at a critical magnetic field. Our work highlights the sensitivity of the Raman modes to weak interlayer spin ordering in CrI 3 .

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Tunable exciton valley-pseudospin orders in moiré superlattices

Excitons in two-dimensional (2D) semiconductors have offered an attractive platform for optoelectronic and valleytronic devices. Further realizations of correlated phases of excitons promise device concepts not possible in the single particle picture. Here we report tunable exciton “spin” orders in WSe 2 /WS 2 moiré superlattices. We find evidence of an in-plane (xy) order of exciton “spin”—here, valley pseudospin—around exciton filling v ex = 1, which strongly suppresses the out-of-plane “spin” polarization. Upon increasing v ex or applying a small magnetic field of ~10 mT, it transitions into an out-of-plane ferromagnetic (FM-z) spin order that spontaneously enhances the “spin” polarization, i.e., the circular helicity of emission light is higher than the excitation. The phase diagram is qualitatively captured by a spin-1/2 Bose–Hubbard model and is distinct from the fermion case. Our study paves the way for engineering exotic phases of matter from correlated spinor bosons, opening the door to a host of unconventional quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Tuning of the magnetotransport properties of a spin-polarized 2D electron system using visible light

We report on the effects of visible light on the low temperature electronic properties of the spin-polarized two dimensional electron system (2DES) formed at the interfaces between LaAlO 3 , EuTiO 3 and (001) SrTiO 3 . A strong, persistent modulation of both longitudinal and transverse conductivity was obtained using light emitting diodes (LEDs) with emissions at different wavelengths in the visible spectrum range. In particular, Hall effect data show that visible light induces a non-volatile electron filling of bands with mainly 3 dxz,yz character, and at the same time an enhancement of the anomalous Hall effect associated to the magnetic properties of the system. Accordingly, a suppression of the weak-anti localization corrections to the magneto-conductance is found, which correlates with an enhancement of the spin-polarization and of the ferromagnetic character of 2DES. The results establish the LED-induced photo-doping as a viable route for the control of the ground state properties of artificial spin-polarized oxide 2DES.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Magnetism at the interface of MoSe 2 /V 2 O 5 heterostructures

In this study, we report the existence of magnetism in a heterostructure made up of an MoSe 2 transition metal dichalcogenide monolayer and a V 2 O 5 substrate. Using density functional theory simulations, we find that ferromagnetic ordering can be found in the MoSe 2 /V 2 O 5 heterostructure even though the individual components are nonmagnetic. The role of van der Waals interactions is examined.

2D magnet↗
DOE OSTI2026

Controlled expansion for pairing in a polarized band with strong repulsion

Can strong repulsive interactions be shown to give rise to pairing in a controlled way? We find that for a single flavor polarized band, there is a small expansion parameter in the low density limit, once the Bloch wavefunction form factor is taken into account. A perturbative expansion is possible, even if the interaction is much stronger than the Fermi energy ε F . As a matter of principle, our work shows analytically how strong pairing can emerge from strong repulsion. Here, we illustrate our method with two examples: a 2D Dirac model and a 1D tight binding model with two orbitals. In the latter case, using density matrix renormalization group, we show that the analytical theory indeed guided us to discover the parameter regime where p-wave pairing with order-1 strength is dominant.

Ferromagnetic superconductors↗
DOE OSTI2024

Quantum octets in high mobility pentagonal two-dimensional PdSe 2

Two-dimensional (2D) materials have drawn immense interests in scientific and technological communities, owing to their extraordinary properties and their tunability by gating, proximity, strain and external fields. For electronic applications, an ideal 2D material would have high mobility, air stability, sizable band gap, and be compatible with large scale synthesis. Here we demonstrate air stable field effect transistors using atomically thin few-layer PdSe 2 sheets that are sandwiched between hexagonal BN (hBN), with large saturation current > 350 μA/μm, and high field effect mobilities of ~ 700 and 10,000 cm 2 /Vs at 300 K and 2 K, respectively. At low temperatures, magnetotransport studies reveal unique octets in quantum oscillations that persist at all densities, arising from 2-fold spin and 4-fold valley degeneracies, which can be broken by in-plane and out-of-plane magnetic fields toward quantum Hall spin and orbital ferromagnetism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Observation of Defect-Assisted Magnetic Vortex Core Reversal at Ultralow Critical Velocity

The stability of structures with nontrivial topology is a subject of great interest, both from fundamental and technological perspectives. The topology of a magnetic vortex, for example, results in high stability of the vortex core polarity, which is attractive for applications. This high stability, however, greatly impedes the required deterministic polarity switching, which is typically only achieved with large magnetic fields or strong dynamic driving. Here, we show that the interaction between the vortex core and manufactured nanoscale defects in the magnetic material lowers the required driving strength for core polarity reversal by more than an order of magnitude. We excite vortex dynamics in thin permalloy disks, and map the twodimensional (2D) vortex core trajectory using 3D time-resolved Kerr microscopy. In pristine samples, we observe normal gyrotropic motion of the vortex core. After laser-induced generation of defects, however, we observe repeated vortex core reversal at much-reduced driving strength. Micromagnetic simulations reveal how local reduction of exchange coupling and saturation magnetization can create vortex core reversal sites for deterministic vortex core switching.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Direct Observation of Magnetic Bubble Lattices and Magnetoelastic Effects in van der Waals Cr 2 Ge 2 Te 6

Abstract Ferromagnetic van der Waals (vdW) materials are of large current interest for the fundamental study of low‐dimensional magnetism and for potential applications in multilayer heterostructures. Cr 2 Ge 2 Te 6 (CGT) is particularly exciting because it is a ferromagnetic semiconductor with tunable electronic and magnetic properties. Controlling the magnetic domain structure of CGT is a requirement for understanding its novel interface physics and for tuning behavior for potential devices. Herein, cryo‐Lorentz transmission electron microscopy is performed in the temperature range of 12–50K to directly image the magnetic domain structures in CGT. A rich phase diagram of domain structures including stripe domains, magnetic bubble lattices of mixed‐chirality, and topologically‐protected lattices of homochiral magnetic bubbles is observed. The types and chiralities of the bubbles can be controlled by topographical changes in the CGT flakes. Additionally, it is observed that in‐plane strain and magnetoelastic coupling can align and organize both bubble lattices and stripe domains. This study provides insights into creating and controlling complex magnetic domain structures for integration into multilayer heterostructures and for future studies of 2D magnetism.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting and Synthesizing Interface Stabilized 2D Layers

The compound (Pb 2 MnSe 3 ) 0.6 VSe 2 was predicted to be kinetically stable based on density functional theory (DFT) calculations on an island of Pb 2 MnSe 3 between layers of VSe 2 . This approach provides a high degree of freedom by not forcing interlayer lattice match, making it ideal to investigate the likelihood of formation of new incommensurate layer misfit structures. The free space around the island is critical, as it allows atoms to diffuse and hence exploring the local energy landscape around the initial configuration. (Pb 2 MnSe 3 ) 0.6 VSe 2 was synthesized via a near diffusionless reaction from precursors where a repeating sequence of elemental layers matches the local composition and layer sequence of the predicted compound. The VSe 2 layer consists of a Se–V–Se trilayer with octahedral coordination of the V atoms. The Pb 2 MnSe 3 layer consists of three rock-salt-like planes, with a MnSe layer between the planes of PbSe. The center MnSe plane stabilizes the puckering of the outer PbSe layers. Electrical properties indicate that (Pb 2 Mn 1 Se 3 ) 0.6 VSe 2 undergoes a charge density wave transition at ~100 K and orders ferromagnetically at 35 K. Overall, the combination of theory and experiment enables a faster convergence to new heterostructures than either approach in isolation.

36 MATERIALS SCIENCE↗