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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tailored topotactic chemistry unlocks heterostructures of magnetic intercalation compounds

The construction of thin film heterostructures has been a widely successful archetype for fabricating materials with emergent physical properties. This strategy is of particular importance for the design of multilayer magnetic architectures in which direct interfacial spin-spin interactions between magnetic phases in dissimilar layers lead to emergent and controllable magnetic behavior. However, crystallographic incommensurability and atomic-scale interfacial disorder can severely limit the types of materials amenable to this strategy, as well as the performance of these systems. Here, we demonstrate a method for synthesizing heterostructures comprising magnetic intercalation compounds of transition metal dichalcogenides (TMDs), through directed topotactic reaction of the TMD with a metal oxide. The mechanism of the intercalation reaction enables thermally initiated intercalation of the TMD from lithographically patterned oxide films, giving access to a family of multi-component magnetic architectures through the combination of deterministic van der Waals assembly and directed intercalation chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Transferable dispersion-aware machine learning interatomic potentials for multilayer transition metal dichalcogenide heterostructures

Stacking atomically thin transition metal dichalcogenides (TMDs) into heterostructures enables exploration of exotic quantum phases, particularly through twist-angle-controlled moiré superlattices. These structures exhibit novel electronic and optical behaviors driven by atomic-scale structural reconstruction. However, studying such systems with DFT is computationally demanding due to their large unit cells and van der Waals (vdW) interactions between layers. To address this, we develop a transferable neural network potential (NNP) that includes long-range vdW corrections up to 12Å with minimal overhead. Trained on vdW-corrected DFT data for Mo- and W-based TMDs with S, Se, and Te, the NNP accurately models monolayers, bilayers, heterostructures, and their interaction with h-BN substrates. It reproduces equilibrium structures, energy landscapes, phonon dispersions, and matches experimental atomic reconstructions in twisted WS2 and MoS2/WSe2 systems. We demonstrate that our NNP achieves DFT-level accuracy and high computational efficiency, enabling large-scale simulations of TMD-based moiré superlattices both with and without substrates.

materials for energy and catalysis↗
DOE OSTI2025

Unconventional unidirectional magnetoresistance in heterostructures of a topological semimetal and a ferromagnet

Unidirectional magnetoresistance (UMR) in a bilayer heterostructure, consisting of a spin-source material and a magnetic layer, refers to a change in the longitudinal resistance on the reversal of magnetization and originates from the interaction of non-equilibrium spin accumulation and magnetization at the interface. Since the spin polarization of an electric-field-induced non-equilibrium spin accumulation in conventional spin-source materials is restricted to be in the film plane, the ensuing UMR can only respond to the in-plane component of magnetization. However, magnets with perpendicular magnetic anisotropy are highly desired for magnetic memory and spin-logic devices, whereas the electrical read-out of perpendicular magnetic anisotropy magnets through UMR is critically missing. Here, in this study, we report the discovery of an unconventional UMR in the heterostructures of a topological semimetal (WTe 2 ) and a perpendicular magnetic anisotropy ferromagnetic insulator (Cr 2 Ge 2 Te 6 ), which allows to electrically read the up and down magnetic states of the Cr 2 Ge 2 Te 6 layer through longitudinal resistance measurements.

Kao, I-Hsuan [Carnegie Mellon Univ., Pittsburgh, P↗
DOE OSTI2025

Heterostructure engineering for wurtzite LaN

Wurtzite LaN (wz-LaN) is a semiconducting nitride with favorable piezoelectric and ferroelectric properties, making it promising for applications in electronics. Here, we use first-principles density functional theory with a hybrid functional to investigate several features that are key for its use in heterostructures. First, for the purposes of growing wz-LaN on a substrate or designing a heterostructure, we show that it can be lattice-matched with a number of cubic materials along their [111] axes. We also evaluate the bound charge at such interfaces, taking into account both the polarization discontinuity and the piezoelectric polarization due to pseudomorphic strain. Second, we investigate band alignments and assess the results for interfaces with zincblende-, rocksalt-, and perovskite-structure compounds, along with chemically similar wurtzite and rocksalt nitrides. Our results provide guidance for the development of electronic devices based on wz-LaN.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Charge density waves in the 2.5-dimensional quantum heterostructure

Charge density wave (CDW) and their interplay with correlated and topological quantum states are at the forefront of condensed matter research. The 4H b -TaS 2 is a CDW ordered quantum heterostructure that is formed by alternative stacking of Mott insulating 1T-TaS 2 and Ising superconducting 1H-TaS 2 . While the $\sqrt{13}$ ×$\sqrt{13}$ and 3 × 3 CDWs have been respectively observed in the bulk 1T-TaS 2 and 2H-TaS 2 , the CDWs and their pivotal role for unconventional superconductivity in the 4⁢Hb-TaS 2 remain unsolved. In this Letter, we reveal the two-dimensional (2D) $\sqrt{13}$ ×$\sqrt{13}$ chiral CDW in the 1T layers and intraunit cell coupled 2D 2 × 2 CDW in the 1H and 1H' layers of 4⁢H b -TaS 2 . Here, our results establish 4⁢H b -TaS 2 a 2.5D quantum heterostructure, where 2D quantum states emerge from 3D crystalline structure.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Novel phenomena in transition-metal oxide thin films and heterostructures with strong correlations and spin-orbit coupling

Transition-metal oxides have been a central subject of condensed matter physics for decades. In addition to novel electronic states driven by the influence of strong correlation, relativistic spin-orbit coupling effects have recently attracted much attention for their potential to explore topological phenomena. Here, in this article, we review various experimental and theoretical studies on transition-metal oxides with focus on thin films and heterostructures where their physics is much influenced by correlation effects and spin-orbit coupling. The combination of the heterostructure geometry together with correlation and topology leads to a variety of novel states here reviewed. We also discuss perspectives for future research in this broad promising area.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Final Technical Report for DE-SC0021049: Manipulating interfacial reactivity with atomically layered heterostructures

This final technical report summarizes the work accomplished in this DOE Early Career Research Program project that has established moiré superlattice materials and two-dimensional (2D) heterostructures as a highly tunable platform for controlling heterogeneous charge transfer (ET) kinetics at solid-liquid interfaces. By precisely engineering van der Waals heterostructures of atomically thin 2D materials, particularly bilayer and trilayer graphene with controlled twist angles, this project demonstrated systematic control of interfacial charge transfer rates spanning three orders of magnitude. This research addresses fundamental questions about how electronic structure, charge localization, and atomic layer-dependent properties govern charge transfer at electrochemical interfaces, with broad implications for energy conversion, electrocatalysis, and next-generation electrochemical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Ultrafast Light-Induced Magnetoelectric Effect in van der Waals Magnetic Semiconductor Heterostructures

Atomic-scale heterostructures of van der Waals (vdW) magnets and semiconductors provide a unique environment for exploring magnetic dynamics. In contrast to typical photothermal excitation of precessional magnetization dynamics by a pump laser pulse, we find that ultrafast optical excitation of a WS2/CrGeTe3 (CGT) bilayer produces an opposite sign of magnetic torque compared to an isolated CGT film. Experimental observations by time-resolved magneto-optic Kerr effect (TR-MOKE) and theoretical analysis by density functional theory (DFT) and Landau-Lifshitz-Gilbert (LLG) simulations support a mechanism in which charge transfer of photoexcited carriers across the interface alters the perpendicular magnetic anisotropy, which in turn generates a torque on the magnetic layer to trigger precessional magnetization dynamics. These results provide new avenues for ultrafast manipulation of magnetization in vdW heterostructures with type-II band alignments. Lastly, we show that optically-generated spin currents from WS2 into CGT can also trigger precessional dynamics via angular momentum transfer.

Zhou, Wenyi [The Ohio State University]↗
NASA NTRS1977

Single heterostructure lasers of PbS/1-x/Se/x/ and Pb/1-x/Sn/x/Se with wide tunability

Single-heterostructure diode lasers formed by compositional interdiffusion (CID) and liquid-phase epitaxy (LPE) of lead salts are discussed. The CID technique, which involves creation of a single heterostructure in a pseudobinary compound having binary constituents with different vapor pressures, is reviewed; growth of lead-salt crystals of various compositions is described. Some electrical and optical characteristics, including properties indicative of high internal quantum efficiencies, are given for lasers which employ the CID and LPE diodes. High operating temperatures (i.e., liquid nitrogen levels and above), together with wide tuning ranges (a diode wavelength of 12.7 microns is reported), make the lasers useful in high-resolution spectrometry and advanced trace-gas monitoring systems.

Linden, K. J.↗
NASA NTRS1984

Electron mobility in modulation-doped heterostructures

A model for electron mobility in a two-dimensional electron gas confined in a triangular well was developed. All major scattering processes (deformation potential and piezoelectric acoustic, polar optical, ionized impurity, and alloy disorder) were included, as well as intrasubband and intersubband scattering. The model is applied to two types of modulation-doped heterostructures, namely GaAs-GaAlAs and In(0.53)Ga(0.47)As-Al(0.52)In(0.48)As. In the former case, phonons and remote ionized impurities ultimately limit the mobility, whereas in the latter, alloy disorder is a predominant scattering process at low temperatures. The calculated mobilities are in very good agreement with recently reported experimental characteristics for both GaAs-Ga(1-x)Al(x)As and In(0.53)Ga(0.47)As-Al(0.52)In(0.48)As modulation-doped heterostructures.

Walukiewicz, W.↗
NASA NTRS1985

High-efficiency double-heterostructure AlGaAs/GaAs solar cells

Double-heterostructure solar cells have been fabricated from wafers prepared by using organometallic chemical vapor deposition to grow a p GaAs absorbing layer sandwiched between p(+) and n(+) AlGaAs layers. The best cell, which incorporates an abrupt AlGaAs/GaAs shallow heterojunction, exhibits a global AM1 one-sun conversion efficiency of 23 percent. The rate at which the open-circuit voltage decreases with increasing temperature is lower for the double-heterostructure cells than for GaAs shallow-homojunction cells.

Gale, R. P.↗
NASA NTRS1991

Millimeter-wave and optoelectronic applications of heterostructure integrated circuits

The properties are reviewed of heterostructure devices for microwave-monolithic-integrated circuits (MMICs) and optoelectronic integrated circuits (OICs). Specific devices examined include lattice-matched and pseudomorphic InAlAs/InGaAs high-electron mobility transistors (HEMTs), mixer/multiplier diodes, and heterojunction bipolar transistors (HBTs) developed with a number of materials. MMICs are reviewed that can be employed for amplification, mixing, and signal generation, and receiver/transmitter applications are set forth for OICs based on GaAs and InP heterostructure designs. HEMTs, HBTs, and junction-FETs can be utilized in combination with PIN, MSM, and laser diodes to develop novel communication systems based on technologies that combine microwave and photonic capabilities.

Pavlidis, Dimitris↗
NASA NTRS1992

High-field transport properties of InAs(x)P(1-x)/InP (x = 0.3-1.0) modulation doped heterostructures at 300 and 77 K

Detailed measurements at 300 and 77 K have been made of the high-field transport properties of pseudomorphic InAsP/InP modulation-doped heterostructures grown by low-pressure organometallic CVD. The high-field channel velocities are comparable to or better than that of InGaAs/InAlAs heterostructures, and the transport properties of InAs/InP heterostucture suggest that carriers remain confined in the channel even at high fields.

Yang, D.↗
NASA NTRS1995

Space concentrator solar cells based on multilayer LPE grown AlGaAs/GaAs heterostructure

The high efficiency solar cells based on multilayer AlGaAs/GaAs heterostructures, prepared by low temperature liquid phase epitaxy (LPE), were developed and tested. An investigation of the low temperature LPE process for the crystallization of AlGaAs heterostructures of as high as 24.0 to 24.7 percent under AMO conditions at concentration ratios of 20 to 100x, were reached. Developed solar cells show substantial radiation resistance to the damage induced by 3.75 MeV electrons.

Khvostikov, V. P.↗
NASA NTRS1995

Characterization of High Ge Content SiGe Heterostructures and Graded Alloy Layers Using Spectroscopic Ellipsometry

Si(x)Ge(1-x)heterostructures on Si substrates have been widely studied due to the maturity of Si technology. However, work on Si(x)Ge)1-x) heterostructures on Ge substrates has not received much attention. A Si(x)Ge(1-x) layer on a Si substrate is under compressive strain while Si(x)Ge(1-x) on Ge is under tensile strain; thus the critical points will behave differently. In order to accurately characterize high Ge content Si(x)Ge(1-x) layers the energy shift algorithm used to calculate alloy compositions, has been modified. These results have been used along with variable angle spectroscopic ellipsometry (VASE) measurements to characterize Si(x)Ge(1-x)/Ge superlattices grown on Ge substrates. The results agree closely with high resolution x-ray diffraction measurements made on the same samples. The modified energy shift algorithm also allows the VASE analysis to be upgraded in order to characterize linearly graded layers. In this work VASE has been used to characterize graded Si(x)Ge(1-x) layers in terms of the total thickness, and the start and end alloy composition. Results are presented for a 1 micrometer Si(x)Ge(1-x) layer linearly graded in the range 0.5 less than or equal to x less than or equal to 1.0.

Heyd, A. R.↗
NASA NTRS1996

Temperature Dependence of Photoluminescence in InGaAs/InP Strained MQW Heterostructures

Multiple quantum well (MQW) InGaAsP/InP heterostructure systems have been drawn considerable research interest in recent years due to its suitability for long wavelength optoelectronic devices. The performance of such devices is strongly affected by peculiarities of recombination processes in the quantum wells (QW). The goal of this study was to investigate the effect of barrier width on the radiative recombination of carriers. In our study, the photoluminescence spectra from InGaAsP/lnP MQW double heterostructures have been measured in the 77-290 K temperature range with different excitation intensities.

Raisky, O. Y.↗
NASA NTRS1994

Theoretical Study of the Effect of an AlGaAs Double Heterostructure on Metal-Semiconductor-Metal Photodetector Performance

The impulse and square-wave input response of different GaAs metal-semiconductor-metal photodetector (MSM) designs are theoretically examined using a two dimensional drift- diffusion numerical calculation with a thermionic-field emission boundary condition model for the heterojunctions. The rise time and the fall time of the output signal current are calculated for a simple GaAs, epitaxially grown, MSM device as well as for various double-heterostructure barrier devices. The double heterostructure devices consist of an AlGaAs layer sandwiched between the top GaAs active, absorption layer and the bottom GaAs substrate. The effect of the depth of the AlGaAs layer on the speed and responsivity of the MSM devices is examined. It is found that there is an optimal depth, at fixed applied bias, of the AlGaAs layer within the structure that provides maximum responsivity at minimal compromise in speed.

Salem, Ali F.↗
NASA NTRS1998

Method and apparatus for selectively annealing heterostructures using microwaves

The present invention discloses a process for selectively annealing heterostructures using microwaves. A heterostructure, comprised of a material having higher microwave absorption and a material having lower microwave absorption, is exposed to microwaves in the cavity. The higher microwave absorbing material absorbs the microwaves and selectively heats while the lower microwave absorbing material absorbs small amounts of microwaves and minimally heats. The higher microwave absorbing material is thereby annealed onto the less absorbing material which is thermally isolated.

Atwater, Harry A.↗