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Agarwal, Amit

Publications and source records attributed to Agarwal, Amit.

13 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Multiple Carrier Generation at an Exceptionally Low Energy Threshold

Multiple carrier generation (MCG), a process wherein two or more carriers are generated from a single high-energy absorbed photon, holds immense promise for quantum sensing, metrology, low-threshold lasers, and photovoltaics. Despite its potential, MCG has faced obstacles such as low efficiency and a high threshold photon energy at least twice the band gap (2?Eg) of the semiconductor, limiting its application only to a class of materials with low Eg. Here, we present a new approach that overcomes this limitation by leveraging carrier-donor scattering to excite secondary electrons from donor states strategically positioned below the conduction band. Our method relies on strong Coulomb interaction, reduced dielectric screening, slow hot carrier cooling, and strictly follows the energy conservation rules. We experimentally demonstrated this idea in a model system of monolayer (1L) MoS2 by exploiting electron-donating chalcogen vacancy states. We observed an exceptionally low MCG threshold of ~1.12?Eg for the first time in 1L MoS2. Remarkably, the quantum yield can be further increased to >3 by increasing the photon energy to 1.65?Eg, representing a substantial advancement over existing methods. Our findings extend the horizon of MCG into next-generation high-performance optoelectronic devices with an on-demand operating spectral range spanning from infrared to ultraviolet.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗
DOE OSTI2021

Atomlike interaction and optically tunable giant band-gap renormalization in large-area atomically thin MoS2

Coulomb interactions in atomically thin transition metal dichalcogenides can be dynamically engineered by exploiting the dielectric environment to control the optical and electronic properties. Here we demonstrate an optically tunable giant band-gap renormalization (BGR) ~1200 and 850 meV from the edge of the conduction band and complete suppression of the exciton absorption in large-area single-layer (1L) and three-layer (3L) MoS2, respectively. The observed giant BGR is two orders of magnitude larger than that in the conventional semiconductors, and it persists for tens of ps. Strikingly, our results demonstrate photoinduced transparency at the electronic band gap using an intense optical field at room temperature. Exciton bleach recovery in 1L and 3L show a contrasting fluence-dependent response, demonstrating the layer-dependent optical tuning of exciton lifetime in a way that would be both reversible and real time. We find that the optical band gap (exciton resonance peak) shows a transient redshift followed by an anomalous blueshift from the lowest energy point as a function of the photo-generated carrier density. The observed exciton energy shift is analogous to atom-atom interactions, and it varies as a Lennard-Jones like potential as a function of the interexciton separation.

2D semiconductors↗
DOE OSTI2021

Magnetic Topological Semimetal Phase with Electronic Correlation Enhancement in SmSbTe

The ZrSiS family of compounds hosts various exotic quantum phenomena due to the presence of both topological nonsymmorphic Dirac fermions and nodal-line fermions. In this material family, the LnSbTe (Ln = lanthanide) compounds are particularly interesting owing to the intrinsic magnetism from magnetic Ln which leads to new properties and quantum states. Here in this work, the authors focus on the previously unexplored compound SmSbTe. The studies reveal a rare combination of a few functional properties in this material, including antiferromagnetism with possible magnetic frustration, electron correlation enhancement, and Dirac nodal-line fermions. These properties enable SmSbTe as a unique platform to explore exotic quantum phenomena and advanced functionalities arising from the interplay between magnetism, topology, and electronic correlations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Layer Hall effect in a 2D topological axion antiferromagnet

While ferromagnets have been known and exploited for millennia, antiferromagnets (AFMs) were only discovered in the 1930s. The elusive nature indicates AFMs' unique properties: At large scale, due to the absence of global magnetization, AFMs may appear to behave like any non-magnetic material; However, such a seemingly mundane macroscopic magnetic property is highly nontrivial at microscopic level, where opposite spin alignment within the AFM unit cell forms a rich internal structure. In topological AFMs, such an internal structure leads to a new possibility, where topology and Berry phase can acquire distinct spatial textures. Here, we study this exciting possibility in an AFM Axion insulator, even-layered MnBi 2 Te 4 flakes, where spatial degrees of freedom correspond to different layers. Remarkably, we report the observation of a new type of Hall effect, the layer Hall effect, where electrons from the top and bottom layers spontaneously deflect in opposite directions. Specifically, under no net electric field, even-layered MnBi 2 Te 4 shows no anomalous Hall effect (AHE); However, applying an electric field isolates the response from one layer and leads to the surprising emergence of a large layer-polarized AHE (~50e 2 /h). Such a layer Hall effect uncovers a highly rare layer-locked Berry curvature, which serves as a unique character of the space-time PT-symmetric AFM topological insulator state. Moreover, we found that the layer-locked Berry curvature can be manipulated by the Axion field, E∙B, which drives the system between the opposite AFM states. Our results achieve previously unavailable pathways to detect and manipulate the rich internal spatial structure of fully-compensated topological AFMs. The layer-locked Berry curvature represents a first step towards spatial engineering of Berry phase, such as through layer-specific moiré potential.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Temperature-dependent electronic structure in a higher-order topological insulator candidate EuIn 2 As 2

Higher-order topological insulators (HOTIs) have enticed enormous research interests owing to their novelty in supporting gapless states along the hinges of a crystal. Despite several theoretical predictions, enough experimental confirmation of the HOTI state in crystalline solids is still lacking. Here, it is shown that interplay between topology and magnetism can give rise to various magnetic topological states, including HOTI and axion insulator states. Here, using high-resolution angle-resolved photoemission spectroscopy combined with the first-principles calculations, we report a systematic study of the electronic structure and its evolution across the magnetic phase transition in EuIn 2 As 2 which possesses an antiferromagnetic ground state below 16 K. Antiferromagnetic EuIn 2 As 2 has been predicted to host both the axion insulator and the HOTI states.We directly observe the linearly dispersing holelike bands crossing the Fermi level and the change in their dispersion across the magnetic phase transition. Our paper points to EuIn 2 As 2 as being a promising material for the exploration of interplay between topology and magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Fermion–boson many-body interplay in a frustrated kagome paramagnet

Kagome-nets, appearing in electronic, photonic and cold-atom systems, host frustrated fermionic and bosonic excitations. However, it is rare to find a system to study their fermion–boson many-body interplay. Here we use state-of-the-art scanning tunneling microscopy/spectroscopy to discover unusual electronic coupling to flat-band phonons in a layered kagome paramagnet, CoSn. We image the kagome structure with unprecedented atomic resolution and observe the striking bosonic mode interacting with dispersive kagome electrons near the Fermi surface. At this mode energy, the fermionic quasi-particle dispersion exhibits a pronounced renormalization, signaling a giant coupling to bosons. Through the self-energy analysis, first-principles calculation, and a lattice vibration model, we present evidence that this mode arises from the geometrically frustrated phonon flat-band, which is the lattice bosonic analog of the kagome electron flat-band. Our findings provide the first example of kagome bosonic mode (flat-band phonon) in electronic excitations and its strong interaction with fermionic degrees of freedom in kagome-net materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Observation of gapped state in rare-earth monopnictide HoSb

The rare-earth monopnictide family is attracting an intense current interest driven by its unusual extreme magnetoresistance (XMR) property and the potential presence of topologically non-trivial surface states. The experimental observation of non-trivial surface states in this family of materials are not ubiquitous. Here, using high-resolution angle-resolved photoemission spectroscopy, magnetotransport, and parallel first-principles modeling, we examine the nature of electronic states in HoSb. Although we find the presence of bulk band gaps at the G and X-symmetry points of the Brillouin zone, we do not find these gaps to exhibit band inversion so that HoSb does not host a Dirac semimetal state. Our magnetotransport measurements indicate that HoSb can be characterized as a correlated nearly-complete electron-hole-compensated semimetal. Our analysis reveals that the nearly perfect electron-hole compensation could drive the appearance of non-saturating XMR effect in HoSb.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Magnetotransport properties of the topological nodal-line semimetal CaCdSn

Topological nodal-line semimetals support protected band crossings, which form nodal lines or nodal loops between the valence and conduction bands and exhibit novel transport phenomena. Here we address the topological state of the nodal-line semimetal candidate material CaCdSn, and report magnetotransport properties of its single crystals grown by the self-flux method. In this work, our first-principles calculations show that the electronic structure of CaCdSn harbors a single nodal loop around the Γ point in the absence of spin-orbit coupling effects. The nodal crossings in CaCdSn are found to lie above the Fermi level and yield a Fermi surface that consists of both electron and hole pockets. CaCdSn exhibits high mobility (μ ≈ 3.44 × 10 4 cm 2 V –1 s –1 ) and displays a field-induced metal-semiconductor-like crossover with a plateau in resistivity at low temperature. We observe an extremely large and quasilinear nonsaturating transverse as well as longitudinal magnetoresistance (MR) at low temperatures (≈ 7.44 × 10 3 % and ≈ 1.71 × 10 3 %, respectively, at 4 K). We also briefly discuss possible reasons behind such a large quasilinear magnetoresistance and its connection with the nontrivial band structure of CaCdSn.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Realization of an intrinsic ferromagnetic topological state in MnBi 8 Te 13

Novel magnetic topological materials pave the way for studying the interplay between band topology and magnetism. However, an intrinsically ferromagnetic topological material with only topological bands at the charge neutrality energy has so far remained elusive. Using rational design, we synthesized MnBi 8 Te 13 , a natural heterostructure with [MnBi 2 Te 4 ] and [Bi 2 Te 3 ] layers. Thermodynamic, transport, and neutron diffraction measurements show that despite the adjacent [MnBi 2 Te 4 ] being 44.1 Å apart, MnBi 8 Te 13 manifests long-range ferromagnetism below 10.5 K with strong coupling between magnetism and charge carriers. First-principles calculations and angle-resolved photoemission spectroscopy measurements reveal it is an axion insulator with sizable surface hybridization gaps. Our calculations further demonstrate the hybridization gap persists in the two-dimensional limit with a nontrivial Chern number. Therefore, as an intrinsic ferromagnetic axion insulator with clean low-energy band structures, MnBi 8 Te 13 serves as an ideal system to investigate rich emergent phenomena, including the quantized anomalous Hall effect and quantized magnetoelectric effect.

36 MATERIALS SCIENCE↗
DOE OSTI2020

K 2 CoS 2 : A two-dimensional in-plane antiferromagnetic insulator

Recent discovery of two-dimensional (2D) magnetic materials has brought magnetism to the flatland and opened up exciting opportunities for the exploration of fundamental physics as well as novel device applications. Here, we predict a thermodynamically stable 2D magnetic material, ${\mathrm{K}}_{2}{\mathrm{CoS}}_{2}$, which retains its in-plane bulk antiferromagnetic (AFM) order down to the monolayer and bilayer limits. Magnetic moments $(2.5{{\mu}}_{B}/\mathrm{Co})$ are found to form a quasi-one-dimensional antiferromagnetically ordered chain of Co atoms. The nonmagnetic electronic spectrum of the monolayer film is found to host flatbands and van Hove singularities, which play a key role in stabilizing the magnetic ground state. Based on classical Monte Carlo simulations, we estimate the Neel temperature for the AFM monolayer to be ${\approx}15\mathrm{K}$. Our study demonstrates that ${\mathrm{K}}_{2}{\mathrm{CoS}}_{2}$ hosts a robust AFM state which persists from the monolayer limit to the bulk material.

2-dimensional systems↗
DOE OSTI2020

Topological Dirac Semimetal Phase in Bismuth Based Anode Materials for Sodium-Ion Batteries

Bismuth has recently attracted interest in connection with Na-ion battery anodes due to its high volumetric capacity. It reacts with Na to form Na 3 Bi which is a prototypical Dirac semimetal with a nontrivial electronic structure. Density-functional-theory based first-principles calculations are playing a key role in understanding the fascinating electronic structure of Na 3 Bi and other topological materials. In particular, the strongly-constrained-and-appropriately-normed (SCAN) meta-generalized-gradient-approximation (meta-GGA) has shown significant improvement over the widely used generalized-gradient-approximation (GGA) scheme in capturing energetic, structural, and electronic properties of many classes of materials. Here, we discuss the electronic structure of Na 3 Bi within the SCAN framework and show that the resulting Fermi velocities and s-band shift around the Γ point are in better agreement with experiments than the corresponding GGA predictions. SCAN yields a purely spin-orbit-coupling (SOC) driven Dirac semimetal state in Na 3 Bi in contrast with the earlier GGA results. Our analysis reveals the presence of a topological phase transition from the Dirac semimetal to a trivial band insulator phase in Na 3 Bi x Sb 1-x alloys as the strength of the SOC varies with Sb content, and gives insight into the role of the SOC in modulating conduction properties of Na 3 Bi.

36 MATERIALS SCIENCE↗