Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “epitaxial interface”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Epitaxial Thin Films of a Chalcogenide Perovskite

Chalcogenide perovskites have emerged as a new class of optoelectronic materials, especially for photovoltaic applications, but fundamental properties and applications of chalcogenide perovskites remain limited due to the lack of high-quality thin films. In this paper, we report direct epitaxial thin film growth of BaZrS 3 , a prototypical chalcogenide, by pulsed laser deposition. X-ray diffraction studies show that the films are strongly textured out-of-plane and have a clear in-plane epitaxial relationship with the substrate. Electron microscopy studies confirm the presence of epitaxy for the first few layers of the film at the interface, even though away from the interface, the films are polycrystalline with many extended defects, suggesting the potential for further improvement in growth. X-ray reflectivity and atomic force microscopy show smooth film surfaces and interfaces between the substrate and the film. The films show strong light absorption near the band edge and photoluminescence in the visible region, validating BaZrS 3 as a suitable candidate for ultrathin front absorbers in tandem solar cells. The photodetector devices show fast and efficient photo response with the highest ON/OFF ratio reported for BaZrS 3 films thus far. Our study opens up opportunities to use high quality thin films of chalcogenide perovskites to probe fundamental physical phenomena in thin films and heterostructures and also in photovoltaic and optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Etched-And-Regrown GaN P–N Diodes with Low-Defect Interfaces Prepared by In Situ TBCl Etching

The ability to form pristine interfaces after etching and regrowth of GaN is a prerequisite for epitaxial selective area doping, which in turn is needed for the formation of lateral PN junctions and advanced device architectures. In this work, we report the electrical properties of etched-and-regrown GaN PN diodes using an in situ Cl-based precursor, tertiary butylchloride (TBCl). We demonstrated a regrowth diode with I–V characteristics approaching that from a continuously grown reference diode. The sources of unintentional contamination from the silicon (Si) impurity and the mediating effect of Si during the TBCl etching are also investigated in this study. Furthermore, this work points to the potential of in situ TBCl etching toward the realization of GaN lateral PN junctions.

36 MATERIALS SCIENCE↗
NASA NTRS2013

The DUV Stability of Superlattice-Doped CMOS Detector Arrays

In this paper, we present experimental results and band structure calculations that illuminate the unique properties of superlattice-doped detectors. Numerical band structure calculations are presented to analyze the dependencies of surface passivation on dopant profiles and interface trap densities (Figure 3). Experiments and calculations show that quantum-engineered surfaces, grown at JPL by low temperature molecular beam epitaxy, achieve a qualitative as well as quantitative uniqueness in their near-immunity to high densities of surface and interface traps.

doped silicon surfaces↗
DOE OSTI2024

Handbook of Molecular Beam Epitaxy of Oxide Materials: Epitaxial Complex Oxide Growth on Semiconductors

This chapter covers the epitaxy of complex oxides on common inorganic semiconductors. The chapter opens with an introduction, motivating the subject and highlighting key general challenges (Section 6.1). We then proceed to describe the general steps of the growth procedure in Section 6.2, which concludes with an overall discussion about trade-offs and expectation management, with an emphasis on the oxide–semiconductor interface. From there, the text describes oxide growth on the common semiconductors, starting with silicon (Section 6.3), where surface reactions and oxidation are the most challenging aspects. Oxide epitaxy on germanium is described in Section 6.4, which is a less challenging oxide growth scheme on semiconductors. Section 6.5 describes oxide epitaxy on gallium arsenide, one of the more challenging schemes, where interface stability and surface preparation pose key challenges. Finally, in Section 6.6, oxide epitaxy on gallium nitride is described, where the lattice mismatch takes the stage as the key challenge. Altogether, this chapter aims to provide the reader with the practical knowledge, tactics and strategies for oxide epitaxy on semiconductors.

Demkov, Alexander A↗
DOE OSTI2024

Interface-induced superconductivity in magnetic topological insulators

The interface between two different materials can show unexpected quantum phenomena. Here, in this study, we used molecular beam epitaxy to synthesize heterostructures formed by stacking together two magnetic materials, a ferromagnetic topological insulator (TI) and an antiferromagnetic iron chalcogenide (FeTe). We observed emergent interface-induced superconductivity in these heterostructures and demonstrated the co-occurrence of superconductivity, ferromagnetism, and topological band structure in the magnetic TI layer—the three essential ingredients of chiral topological superconductivity (TSC). The unusual coexistence of ferromagnetism and superconductivity is accompanied by a high upper critical magnetic field that exceeds the Pauli paramagnetic limit for conventional superconductors at low temperatures. These magnetic TI/FeTe heterostructures with robust superconductivity and atomically sharp interfaces provide an ideal wafer-scale platform for the exploration of chiral TSC and Majorana physics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Remote epitaxy and selective epitaxy on vdW materials for layer transfer

Remote epitaxy is recently gaining huge attention for the growth of single-crystal thin films and their isolation from the substrate for heterogeneous integration. Despite the recent progress, there are challenges in engineering the interface and optimizing the material quality. Here, we introduce two approaches that could overcome the issues. As the first approach, we show directly grown 2D materials as a template for remote epitaxy of III-V and III-N materials. This ensures a pristine interface without transfer process-related contaminations and damages. Second, we show the use of nanopatterned graphene for selective epitaxy and lateral overgrowth of single-crystal films. This allows for the use of materials as substrates and epilayers which is not possible in remote epitaxy.

Kim, Hyunseok↗
DOE OSTI2023

Two-level systems in nucleated and non-nucleated epitaxial alpha-tantalum films

Building usefully coherent superconducting quantum processors depends on reducing losses in their constituent materials. Tantalum, like niobium, has proven utility as the primary superconducting layer within highly coherent qubits. However, unlike Nb, high temperatures are typically used to stabilize the desirable body-centered-cubic phase, α-Ta, during thin film deposition. It has long been known that a thin Nb layer permits the room-temperature nucleation of α-Ta, but here we observe the epitaxial process and present few-photon microwave loss measurements in Nb-nucleated Ta films. We compare resonators patterned from Ta films grown at high temperature (500 °C) and films nucleated at room temperature, in order to understand the impact of the crystalline order on quantum coherence. In both cases, films grew with Al 2 O 3 (001) ∥ Ta (110), indicating that the epitaxial orientation is independent of temperature and is preserved across the Nb/Ta interface. We use conventional low-power spectroscopy to measure two level system (TLS) loss as well as an electric-field bias technique to measure the effective dipole moments of TLS in the surfaces of resonators. In our measurements, Nb-nucleated Ta resonators had greater loss tangent (1.5 ± 0.1 × 10 -5 ) than non-nucleated (5 ± 1× 10 -6 ) in approximate proportion to defect densities as characterized by x-ray diffraction (0.27° vs 0.18° [110] reflection width) and electron microscopy (30 vs 70 nm domain size). Furthermore, the dependence of the loss tangent on domain size indicates that the development of more ordered Ta films is likely to lead to improvements in qubit coherence times. Moreover, low-temperature α-Ta epitaxy may enable the growth of microstate-free heterostructures, which would not withstand high temperature processing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Remote epitaxy and selective epitaxy on vdW materials for layer transfer

Remote epitaxy is recently gaining huge attention forthe growth of single-crystal thin films and their isolation from the substrate for heterogeneous integration.Despite the recent progress, there are challenges inengineering the interface and optimizing the materialquality. Here, we introduce two approaches that could overcome the issues. As the first approach, we show directly grown 2D materials as a template for remote epitaxy of III-V and III-N materials. This ensuresa pristine interface without transfer process-related contaminations and damages. Second, we show theuse of nanopatterned graphene for selective epitaxyand lateral overgrowth of single-crystal films. This allows for the use of materials as substrates and epilayers which is not possible in remote epitaxy.

Kim, Hyunseok↗
NASA NTRS1988

An exactly solvable model for calculating critical misfit and thickness in epitaxial superlattices - Layers of equal elastic constants and thicknesses

A parabolic interaction potential has been used to develop a model for calculating the misfit dislocation (MD) energy in the case of a superlattice of alternating layers of materials with equal elastic constants and thicknesses. The model, which is believed to be a good one for small misfits and to have some merit for covalent bonded materials, is exactly solvable for the critical thickness above which it is energetically favorable to lose coherency by the introduction of MDs into the interfaces. It was found, for a given misfit f, that the critical thickness for epitaxial superlattices free from their substrate is somewhat more than four times that for a single epilayer on a thick substrate. Furthermore, the critical thickness varies almost inversely with misfit to the power 1.22 when Poisson's ratio is 1/3. It was also shown that the critical misfit f(c) obtained by equating maximal misfit strain and MD energies is a significant overestimate of f(c). The results for a superlattice are compared with those of a thin layer on a thick substrate.

Van Der Merwe, Jan H.↗
DOE OSTI2026

Programmable Phase Selection between Altermagnetic and Noncentrosymmetric Polymorphs of MnTe on InP via Molecular Beam Epitaxy

This dataset contains DFT input and output files supporting the theoretical modeling in the associated publication (ACS Appl. Mater. Interfaces 2026, 18, 15654-15664). The calculations model the interfacial energetics of two MnTe polymorphs — NiAs-MnTe (hexagonal, alpha phase) and ZnS-MnTe (cubic, gamma phase) — on InP(111) substrates with two surface terminations: In-terminated InP(111)A and P-terminated InP(111)B. This gives four interface configurations: NiAs on In-terminated (experimentally observed), NiAs on P-terminated (computed for comparison), ZnS on In-terminated (computed for comparison), and ZnS on P-terminated (experimentally observed). The dataset is organized into four calculation types, each covering all four polymorph/termination combinations: (i) Slabs: Pristine MnTe/InP heterostructure slabs used to compute total energies and interface energy densities (Eint) for all four configurations, as reported in Fig. 6 of the main text. (ii) Disorder: Same slab geometries with a P_Te + Te_P antisite defect pair introduced near the interface, used to assess chemical intermixing effects on interface stability (Fig. S8, SI). (iii) Strain: Pristine slab calculations with in-plane lattice parameters strained by -1% and +1% relative to the InP lattice constant, used to evaluate strain-dependent interface energetics (Fig. S9, SI). (iv) Charge_Density: Single-point calculations on the full heterostructure, the isolated InP slab, and the isolated MnTe slab at fixed geometry, used to compute differential charge density plots showing interfacial charge accumulation and depletion as a function of surface termination (Fig. S10, SI). Each calculation folder contains INCAR, KPOINTS, POSCAR, CONTCAR, OUTCAR, and POTCAR_info.txt (PAW potential information, excluding the full POTCAR due to VASP licensing restrictions). The calculations were performed using VASP 6.4.3 with PBE exchange-correlation, PAW potentials, a Hubbard correction of Ueff = 5 eV on Mn d-states, and A-type AFM spin initialization.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Formation of Mn-rich interfacial phases in Co 2 Fe x Mn 1-x Si thin films

Here, we report the formation of Mn-rich regions at the interface of Co 2 Fe x Mn 1-x Si thin films grown on GaAs substrates by molecular beam epitaxy (MBE). Scanning transmission electron microscopy (STEM) with electron energy loss (EEL) spectrum imaging reveals that each interfacial region: (1) is 1–2 nm wide, (2) occurs irrespective of the Fe/Mn composition ratio and in both Co-rich and Co-poor films, and (3) displaces both Co and Fe indiscriminately. We also observe a Mn-depleted region in each film directly above each Mn-rich interfacial layer, roughly 3 nm in width in the x = 0 and x = 0.3 films, and 1 nm in the x = 0.7 (less Mn) film. We posit that growth energetics favor Mn diffusion to the interface even when there is no significant Ga interdiffusion into the epitaxial film. Element-specific X-ray magnetic circular dichroism (XMCD) measurements show larger Co, Fe, and Mn orbital to spin magnetic moment ratios compared to bulk values across the Co 2 Fe x Mn 1-x Si compositional range. The values lie between reported values for pure bulk and nanostructured Co, Fe, and Mn materials, corroborating the non-uniform, layered nature of the material on the nanoscale. Finally, SQUID magnetometry demonstrates that the films deviate from the Slater-Pauling rule for uniform films of both the expected and the measured composition. The results inform a need for care and increased scrutiny when forming Mn-based magnetic thin films on III-V semiconductors like GaAs, particularly when films are on the order of 5 nm or when interface composition is critical to spin transport or other device applications.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Radiation damage of gallium arsenide production cells

High-efficiency gallium arsenide cells, made by the liquid epitaxy method (LPE), have been irradiated with 1-MeV electrons up to fluences of 10 to the 16th e/sq cm. Measurements have been made of cell spectral response and dark and light-excited current-voltage characteristics and analyzed using computer-based models to determine underlying parameters such as damage coefficients. It is possible to use spectral response to sort out damage effects in the different cell component layers. Damage coefficients are similar to other reported in the literature for the emitter and buffer (base). However, there is also a damage effect in the window layer and possibly at the window emitter interface similar to that found for proton-irradiated liquid-phase epitaxy-grown cells. Depletion layer recombination is found to be less than theoretically expected at high fluence.

Mardesich, N.↗
NASA NTRS1996

Epitaxial Growth of beta-Silicon Carbide (SiC) on a Compliant Substrate via Chemical Vapor Deposition (CVD)

Many lattice defects have been attributed to the lattice mismatch and the difference in the thermal coefficient of expansion between SiC and silicon (Si). Stacking faults, twins and antiphase boundaries are some of the lattice defects found in these SiC films. These defects may be a partial cause of the disappointing performance reported for the prototype devices fabricated from beta-SiC films. The objective of this research is to relieve some of the thermal stress due to lattice mismatch when SiC is epitaxially grown on Si. The compliant substrate is a silicon membrane 2-4 microns thick. The CVD process includes the buffer layer which is grown at 1360 C followed by a very thin epitaxial growth of SiC. Then the temperature is raised to 1500 C for the subsequent growth of SiC. Since silicon melts at 1415 C, the SiC will be grown on molten Silicon which is absorbed by a porous graphite susceptor eliminating the SiC/Si interface. We suspect that this buffer layer will yield less stressed material to help in the epitaxial growth of SiC.

Mitchell, Sharanda L.↗
DOE OSTI2024

Probing intrinsic magnetization dynamics of the Y 3⁢ Fe 5 ⁢O 12 /Bi 2 ⁢Te 3 interface at low temperature

Topological insulator–magnetic insulator (TI–MI) heterostructures hold significant promise in the field of spintronics, offering the potential for manipulating magnetization through topological surface state–enabled spin-orbit torque. However, many TI–MI interfaces are plagued by issues such as contamination within the magnetic insulator layer and the presence of a low-density transitional region of the topological insulator. These interfacial challenges often obscure the intrinsic behavior of the TI–MI system. In this study, we addressed these challenges by depositing sputtered Bi 2 ⁢Te 3 on liquid phase epitaxy grown Y 3 ⁢Fe 5 ⁢O 12 /Gd 3 ⁢Ga 5 ⁢O 12 . The liquid phase epitaxy grown Y 3 ⁢Fe 5 ⁢O 12 has been previously shown to have exceptional interface quality, without an extended transient layer derived from interdiffusion processes of the substrate or impurity ions, thereby eliminating rare-earth impurity-related losses in the MI at low temperatures. At the TI–MI interface, high-resolution depth-sensitive polarized neutron reflectometry confirmed the absence of a low-density transitional growth region of the TI. By overcoming these undesirable interfacial effects, we isolate and probe the intrinsic low-temperature magnetization dynamics and transport properties of the TI–MI interface. In conclusion, our findings revealed strong spin pumping at low temperatures, accompanied by an additional in-plane anisotropy. The enhanced spin pumping at low temperatures is correlated with the observed suppression of bulk conduction and the weak antilocalization in the TI film, highlighting the interplay between the transport and spin pumping behavior in the TI–MI system.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Crystal orientation dependence of interfacial magnetic anisotropy at heavy-metal/magnetic-garnet interfaces

Ferrimagnetic insulators capped with a heavy metal are becoming an increasingly interesting materials system in spintronics due to their unique ability for electrical manipulation and detection of magnetic states and spin textures via spin-orbit torques. The ability to engineer magnetic anisotropy is a powerful tool for tuning the recently discovered phenomena in these bilayers such as electrical switching or the stabilization of topological magnetic textures. Here, we observe large shifts in the magnetic anisotropy in Tm 3 Fe 5 O 13 and Y 3 Fe 5 O 12 thin films due to heavy-metal capping layers, which strongly depends on the orientation of the substrate and therefore the orientation of the epitaxial films. This work suggests large Rashba spin-orbit coupling at the metal/ferrimagneticinsulator interface, which can be engineered in spintronic devices that utilize spin-orbit torques for electrical control of the magnetization in magnetic insulators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Solution epitaxy of polarization-gradient ferroelectric oxide films with colossal photovoltaic current

Solution growth of single-crystal ferroelectric oxide films has long been pursued for the low-cost development of high-performance electronic and optoelectronic devices. However, the established principles of vapor-phase epitaxy cannot be directly applied to solution epitaxy, as the interactions between the substrates and the grown materials in solution are quite different. Here, we report the successful epitaxy of single-domain ferroelectric oxide films on Nb-doped SrTiO 3 single-crystal substrates by solution reaction at a low temperature of ~200 o C. The epitaxy is mainly driven by an electronic polarization screening effect at the interface between the substrates and the as-grown ferroelectric oxide films, which is realized by the electrons from the doped substrates. Atomic-level characterization reveals a nontrivial polarization gradient throughout the films in a long range up to ~500 nm because of a possible structural transition from the monoclinic phase to the tetragonal phase. This polarization gradient generates an extremely high photovoltaic short-circuit current density of ~2.153 mA/cm 2 and open-circuit voltage of ~1.15 V under 375 nm light illumination with power intensity of 500 mW/cm 2 , corresponding to the highest photoresponsivity of ~4.306×10 -3 A/W among all known ferroelectrics. Our results establish a general low-temperature solution route to produce single-crystal gradient films of ferroelectric oxides and thus open the avenue for their broad applications in self-powered photo-detectors, photovoltaic and optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A cleanroom in a glovebox

The exploration of new materials, novel quantum phases, and devices requires ways to prepare cleaner samples with smaller feature sizes. Initially, this meant the use of a cleanroom that limits the amount and size of dust particles. However, many materials are highly sensitive to oxygen and water in the air. Furthermore, the ever-increasing demand for a quantum workforce, trained and able to use the equipment for creating and characterizing materials, calls for a dramatic reduction in the cost to create and operate such facilities. To this end, we present our cleanroom-in-a-glovebox, a system that allows for the fabrication and characterization of devices in an inert argon atmosphere. Additionally, we demonstrate the ability to perform a wide range of characterization as well as fabrication steps, without the need for a dedicated room, all in an argon environment. Finally, we discuss the custom-built antechamber attached to the back of the glovebox. This antechamber allows the glovebox to interface with ultra-high vacuum equipment such as molecular-beam epitaxy and scanning tunneling microscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Epitaxial (Al x Ga 1-x-y In y ) 2 O 3 Alloys Lattice Matched to Monoclinic Ga 2 O 3 Substrates

We have epitaxially stabilized a series of monoclinic (Al x Ga 1-x-y In y ) 2 O 3 alloys by careful choice of molecular beam epitaxy growth conditions, which balance alloy growth with suboxide desorption. The films are pseudomorphic to (010) β-Ga 2 O 3 substrates at thicknesses up to 150 nm with compositions ranging from (Al 0.01 Ga 0.83 In 0.16 ) 2 O 3 to (Al 0.24 Ga 0.75 In 0.03 ) 2 O 3 . The absorption edge shifts from approximately 4.62-5.14 eV with coincidently increasing Al and decreasing In mole fractions. J-V measurements reveal an increase in resistivity over four orders of magnitude with a maximum value of 4.2 x 10 5 Ω-cm for (Al 0.17 Ga 0.76 In 0.07 ) 2 O 3 , which has nearly identical lattice parameters (both in-plane and out-of-plane) to the underlying β-Ga 2 O 3 . Scanning transmission electron microscopy of this sample reveals a mostly uniform and single crystalline film, though we identify areas of non-uniform In incorporation and some γ-phase inclusions. This work demonstrates the feasibility of thick layers lattice-matched to β-Ga 2 O 3 with increased bandgap compared to phase-separation limited (Al,Ga) 2 O 3 . These alloys can enable higher bandgap epitaxial dielectrics and high sheet charge density transistors by increasing the conduction band offset with respect to β-Ga 2 O 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗