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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Highly Nonstoichiometric YAG Ceramics with Modified Luminescence Properties

Abstract Y 3 Al 5 O 12 (YAG) is a widely used phosphor host. Its optical properties are controlled by chemical substitution at its YO 8 or AlO 6 /AlO 4 sublattices, with emission wavelengths defined by rare‐earth and transition‐metal dopants that have been explored extensively. Nonstoichiometric compositions Y 3+x Al 5‐x O 12 ( x ≠ 0) may offer a route to new emission wavelengths by distributing dopants over two or more sublattices simultaneously, producing new local coordination environments for the activator ions. However, YAG typically behaves as a line phase, and such compositions are therefore challenging to synthesize. Here, a series of highly nonstoichiometric Y 3+x Al 5‐x O 12 with 0 ≤ x ≤ 0.40 is reported, corresponding to ≤20% of the AlO 6 sublattice substituted by Y 3+ , synthesized by advanced melt‐quenching techniques. This impacts the up‐conversion luminescence of Yb 3+ /Er 3+ ‐doped systems, whose yellow‐green emission differs from the red‐orange emission of their stoichiometric counterparts. In contrast, the YAG:Ce 3+ system has a different structural response to nonstoichiometry and its down‐conversion emission is only weakly affected. Analogous highly nonstoichiometric systems should be obtainable for a range of garnet materials, demonstrated here by the synthesis of Gd 3.2 Al 4.8 O 12 and Gd 3.2 Ga 4.8 O 12 . This opens pathways to property tuning by control of host stoichiometry, and the prospect of improved performance or new applications for garnet‐type materials.

Chemistry↗
DOE OSTI2024

Advancing the Performance of Lithium-Rich Oxides in Concert with Inherent Complexities: Domain-Selective Substitutions

Historically, modifications to Li- and Mn-rich (LMR) cathodes have been studied in relation to their efficacy in solving challenges such as oxygen loss and voltage fade, which are inherent to the activation process of these electrodes. However, even in the presence of these phenomena, well-optimized LMR cathodes show considerable promise as earth-abundant options, particularly if other barriers to implementation can be overcome or mitigated. As the complex mechanisms of LMR electrodes are known to stem from the local, chemical inhomogeneities that define the nanocomposite domain nature of these oxides, strategies aimed at manipulating the performance of activated electrodes, irrespective of voltage fade, through domain-selective modifications, could prove instructive. In this work, we use a novel synthesis process aimed at influencing the site occupancy of substituted Sn 4+ , as an example 4+ cation, into a Co-free Li 1.13 Mn 0.57(1–x) Sn 0.57x Ni 0.3 O 2 LMR oxide. We show that Sn 4+ can be selectively substituted into Li-rich environments. The consequences are revealed to be both chemical and morphological, and the domain-selective doping strategy provides a knob for directed control of the low state-of-charge impedance behavior. In conclusion, these results reveal new clues and insights with respect to further advancing the practical relevance of LMR cathode particles and electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Magnetic properties of Lu and Y doped Ce-Fe-B magnets

The growing demand for Nd2Fe14B magnets is exacerbating the current critical materials shortage. To reduce the amount of critical material in Nd2Fe14B magnets, chemical substitutions have been used and shown to improve the magnetic behavior, such as the Curie Temperature TC, anisotropy field Ha, and saturation magnetization MS.

Bretana, Alex↗
NASA NTRS1984

Evaluation of candidate Stirling engine heater tube alloys after 3500 hours exposure to high pressure doped hydrogen or helium

The heater head tubes of current prototype automotive Stirling engines are fabricated from alloy N-155, an alloy which contains 20 percent cobalt. Because the United States imports over 90 percent of the cobalt used in this country and resource supplies could not meet the demand imposed by automotive applications of cobalt in the heater head (tubes plus cylinders and regenerator housings), it is imperative that substitute alloys free of cobalt be identified. The research described herein focused on the heater head tubes. Sixteen alloys (15 potential substitutes plus the 20 percent Co N-155 alloy) were evaluated in the form of thin wall tubing in the NASA Lewis Research Center Stirling simulator materials diesel fuel fired test rigs. Tubes filled with either hydrogen doped with 1 percent CO2 or with helium at a gas pressure of 15 MPa and a temperature of 820 C were cyclic endurance tested for times up to 3500 hr. Results showed that two iron-nickel base superalloys, CG-27 and Pyromet 901 survived the 3500 hr endurance test. The remaining alloys failed by creep-rupture at times less than 3000 hr, however, several other alloys had superior lives to N-155. Results further showed that doping the hydrogen working fluid with 1 vol % CO2 is an effective means of reducing hydrogen permeability through all the alloy tubes investigated.

Misencik, J. A.↗
DOE OSTI2026

The presence of Ru metal modifies the behavior of deuterium bound to pyridinic nitrogen in doped graphene-like materials

We used a combination of x-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) to investigate how the presence of a ruthenium (Ru) metal substrate modifies the N-D bond strength of the pyridinic nitrogen species in nitrogen (N)-doped graphene (Gr) on Ru(0001) compared to metal-free highly-oriented pyrolytic graphite (HOPG) substrate. The N-dopants were introduced through low-energy N+/N2+ irradiation. N is embedded in the carbon materials in two predominant configurations: as graphitic N (GN: N substituted in the hexagonal C lattice) and pyridinic N (PN: substitutional N adjacent to a C vacancy). XPS data showed that upon atomic deuterium (D) exposure at 220 K, the PN peak shifted to a higher binding energy by +1.2 eV for HOPG and +1.0 eV for N-doped graphene on Ru(0001), while the GN peak remained unchanged, indicating that the D atoms bound solely to pyridinic N. 85% of PN sites on HOPG can be saturated with D atoms, whereas only ~30% of pyridinic N sites are able to bind D atoms in N-doped Gr/Ru(0001). Our DFT analysis shows that this difference is due to the coordination of PN to Ru atoms, which necessitates bond cleavage of the N-Ru interaction prior to D atom adsorption. D begins desorbing from N-HOPG at ~573 K and is fully desorbed by ~973 K, whereas desorption from N-doped graphene on Ru(0001) begins at ~290 K, with complete desorption observed at ~700 K, indicating that the Ru metal weakens the N-D bond strength. We also studied a high-surface-area, layered, and porous N-doped carbon material, internally labeled NC900, which was synthesized by pyrolysis of glucose and graphitic carbon nitride (g-C3N4) at 1173 K. D exposure caused a +1.1 eV PN peak shift in NC900, with no change in the GN peak. Moreover, the NC900 exhibited the same desorption behavior as HOPG, demonstrating that well-defined model systems can effectively capture the behavior of more complex N-doped carbon materials.

Alupothe Gedara, Buddhika S.↗
DOE OSTI2020

Prospects for n -type doping of (Al x Ga 1– x ) 2 O 3 alloys

Here we systematically explore the properties of group-IV (C, Si, Ge, and Sn) and transition metal (Hf, Zr, and Ta) dopants substituting on the cation site in (Al x Ga 1– x ) 2 O 3 (AlGO) alloys using first-principles calculations with a hybrid functional. In Ga 2 O 3 , each of these dopants acts as a shallow donor. In Al 2 O 3 , they are deep defects characterized by the formation of either DX centers or positive- U (+/0) levels. Combining our calculations of dopant charge-state transition levels with information of the AlGO alloy band structure, we estimate the critical Al composition at which each dopant transitions from being a shallow to a deep donor. We identify Si to be the most efficient dopant to achieve n -type conductivity in high Al-content AlGO alloys, acting as a shallow donor over the entire predicted stability range for AlGO solid solution alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Enhanced Phase Stability of Sm 2 (Fe, Al) 17 C x

Aluminum doping can improve the phase stability of metastable compound Sm 2 Fe 17 C x with a high carbon content (x > 1.5). We investigated the preferential site substitution of Al, chemical bonding, and structural stability in Sm 2 (Fe,Al) 17 C 3 using first-principle calculations. Our results reveal a strong correlation between the preferential substitution of Fe by Al and the atomic site chemical environment, which affects the overall phase stability. Specifically, Al preferentially occupies the 9d site in Sm 2 (Fe,Al) 17 C 3 . At the same time, Al prefers the site 6c in its parent phase Sm 2 (Fe,Al) 17 . Partial replacement of Fe with Al leads to a more negative formation energy, indicating enhanced thermodynamic stability. Crystal Orbital Hamilton Population (COHP) and Crystal Orbital Bond Index (COBI) analysis suggest that insertion of carbon weakens the bonding strength of Sm-Fe (18f) and Sm-Fe (18h), resulting in metastability of Sm 2 Fe 17 C x . Doping Al strengthens Al-Fe, Al-Sm, Sm-Fe (18f, 18h) and Fe–C bonding in Sm 2 (Fe,Al) 17 C 3 , as revealed by calculated COHP and COBI. These effects contribute to improved phase stability in the Al-doped 2:17 interstitial compound.

chemical bonding↗
DOE OSTI2026

Engineering Na‐Rich P2‐Type Layered Oxides Through Li/Ti Dual Doping for Oxygen Redox Activation and Superior Structural Stability

Sodium layered oxides Na x MO 2 (x ≤ 1 and M = transition metal ions) have gained significant interest as sodium-ion battery (NIB) cathodes owing to their high operating voltages and potential for higher energy density compared with polyanion and Prussian blue–type cathodes. However, their practical applications are often hindered by the irreversible structural transitions leading to capacity fading during cycling. The nature and substitution of transition metal ions define the material properties and electrochemical performance. In this study, through comprehensive electrochemical characterization combined with multi-scale structural and spectroscopical analyses, we demonstrate the synergistic impacts of Lithium and Titanium doping, which not only increases overall capacity by boosting cation and anion cooperative redox contributions but also improves the rate capability and cycling stability. Specifically, Li + doping enhances the available sodium inventory for extraction, while Ti 4+ disrupts Na + /vacancy ordering at lower voltages (< 4 V) and mitigates the detrimental P2→OP4/O2 phase transition during cycling. The combined effect of Lithium and Titanium doping promotes more charge localization on Oxygen, which activates reversible lattice oxygen redox reactions at elevated voltages, contributing additional capacity beyond conventional cationic redox. This work provides crucial insights into the design of high-performance, high-capacity P2-type layered cathode materials for sodium-ion batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Antiferromagnetic order in Co-doped Fe 5 GeTe 2 probed by resonant magnetic x-ray scattering

The quasi-two-dimensional van der Waals magnet Fe 5-δ GeTe 2 has emerged as a promising platform for electronic and spintronic functionalities at room temperature, owing to its large ferromagnetic ordering temperature T C ≈ 315 K. Interestingly, by cobalt (Co) substitution of iron in F5GT, i.e., (Fe 1-x Co x ) 5-δ GeTe 2 (Co-F5GT), not only can its magnetic transition temperature be further enhanced, but the magnetic and structural ground states can also be tuned. Specifically, an antiferromagnetic (AFM) order is induced beyond the Co doping level x ≥ 0.4. Here, in this work, we investigate the magnetic properties of a Co-F5GT single crystal at x = 0.45(1), by utilizing the element-specific, resonant magnetic x-ray scattering technique. Our study reveals an A-type, Ising-like AFM ground state, with a transition temperature T N ≈ 340 K. In addition, our work unveils an important contribution from Co magnetic moments to the magnetic order. The application of the in-plane magnetic fields gradually polarizes the spin moments along the field direction, but without inducing incommensurate spin texture(s).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Construction of Nitrogen-abundant Graphyne Scaffolds via Mechanochemistry-Promoted Cross-Linking of Aromatic Nitriles with Carbide Toward Enhanced Energy Storage

The 2D graphyne-related scaffolds linked by carbon–carbon triple bonds have demonstrated promising applications in the field of catalysis and energy storage due to their unique features including high conductivity, permanent porosity, and electron-rich properties. However, the construction of related scaffolds is still mainly limited to the cross-linking of CaC 2 with multiple substituted aromatic halogens and there is still a lack of efficient methodology capable of introducing high-concentration heteroatoms within the architectures. The development of alternative and facile synthesis procedures to afford nitrogen-abundant graphyne materials is highly desirable yet challenging in the field of energy storage, particularly via the facile mechanochemical procedure under neat and ambient conditions. Here, in this study, graphyne materials with abundant nitrogen-containing species (nitrogen content of 6.9–29.3 wt.%), tunable surface areas (43–865 m 2 g -1 ), and hierarchical porosity are produced via the mechanochemistry-driven pathway by deploying highly electron-deficient multiple substituted aromatic nitriles as the precursors, which can undergo cross-linking reaction with CaC 2 to afford the desired nitrogen-doped graphyne scaffolds efficiently. Unique structural features of the as-synthesized materials contributed to promising performance in supercapacitor-related applications, delivering high capacitance of 254.5 F g -1 at 5 mV s -1 , attractive rate performance, and good long-term stability.

25 ENERGY STORAGE↗
DOE OSTI2021

Nanoscale heterogeneity induced by nonmagnetic Zn dopants in the quantum critical metal CeCoIn 5 : 115 In NQR/NMR and 59 Co NMR study

We report antiferromagnetism in a prototypical quantum critical metal CeCoIn 5 is known to be induced by slight substitutions of nonmagnetic Zn atoms for In. In nominally 7% Zn-substituted CeCoIn 5 , an antiferromagnetic (AFM) state coexists with heavy fermion superconductivity. Heterogeneity of the electronic states is investigated in Zn-doped CeCoIn 5 by means of nuclear quadrupole and magnetic resonances (NQR and NMR). Site-dependent NQR relaxation rates 1/T 1 indicate that the AFM state is locally nucleated around Zn substituents in the matrix of a heavy fermion state, and percolates through the bulk at the AFM transition temperature T N . At lower temperatures, an anisotropic superconducting (SC) gap below the SC transition temperature Tc, and the SC state permeates through the AFM regions via a SC proximity effect. Applying an external magnetic field induces a spin-flop transition near 5T, reducing the volume of the AFM regions. Consequently, a short-ranged inhomogeneous AFM state survives and coexists with a paramagnetic Fermi liquid state at high fields.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Stable and Catalytically Active Shape-Engineered Cerium Oxide Nanorods by Controlled Doping of Aluminum Cations

Shape-engineered nanocrystals (SENs) promise a better selectivity and a higher activity in catalytic reactions than the corresponding non-shape-engineered ones because of their larger specific surface areas and desirable crystal facets. However, often, it is challenging to apply SENs in practical catalytic applications at high reaction temperatures, where SENs deforms into more stable, less active nanoparticles. In this paper, we show that atomic layer deposition (ALD) of Al 2 O 3 at 200 °C can controllably dope Al cations into the shape-engineered CeO 2 nanorods (NRs) to not only increase their shape transition temperature from 400 °C to beyond 700 °C but also greatly increase their specific reversible oxygen storage capacity (srOSC). Furthermore, the substituted Al3+ ions impede the surface diffusion of Ce ions and therefore improve the thermal stability of CeO 2 NRs. These Al3+ dopants form -Al–O–Ce–O– clusters, which are new Ce species and can be reversibly reduced and oxidized at 500–700 °C. This low-temperature chemical doping method decouples the synthesis process of SENs from the doping process and maintains the shape of the SENs during the activation of dopants. This concept could be adopted to enable the applications of other SENs in challenging high-temperature environments.

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

Heavy boron doping effects on biaxially tensile strained germanium (>1.5%) investigated via structural characterization, effective lifetime assessment and atomistic modeling

Highly tensile strained germanium (ε-Ge) represents an essential material system for emerging electronic and photonics applications. Moreover, adjusting the doping levels to moderate or high concentrations can effectively tailor the properties of ε-Ge for specific applications. This article combines experimental characterization with a theoretical framework to examine the effects of heavy elemental boron (B) doping on pseudomorphic sub-50 nm ε-Ge. High resolution X-ray diffractometry is used to validate tensile strain levels of 1.53% and 1.68% in Ge epilayers, surpassing the indirect-to-direct band gap crossover point at ∼1.5% biaxial tensile strain. Cross-sectional transmission electron microscopy revealed visual evidence of stacking faults and surface roughening in 1.68% ε-Ge, although a coherent and abrupt Ge/III–V heterointerface is observed, devoid of interfacial misfit dislocations. Effective lifetime measurements demonstrated approximately twofold enhancement in 1.53% B-doped ε-Ge (N B ∼7 × 10 19 cm −3 ) compared to its unstrained B-doped counterpart, while no such improvement was observed in 1.68% B-doped ε-Ge. This lack of enhancement is attributed to the presence of stacking faults and surface roughness within the ε-Ge epilayer. Through density functional theory calculations, we independently demonstrate that substitutional B atoms induce local deformation of Ge–Ge bonds in both unstrained Ge and ε-Ge epilayers, resulting in an additive tensile strain. This phenomenon could potentially lead to dynamic reduction and overcoming of the critical layer thickness for the system, facilitating the nucleation and subsequent glide of 90° leading Shockley partial dislocations, thereby generating stacking faults. In essence, these findings establish an upper limit on the B-doping concentration that can be achieved in highly ε-Ge epilayers, and collectively, offer valuable insights into the significance of heavy doping in Ge-based heterostructures. As such, this study delineates a fundamental constraint for integrating heavily doped ε-Ge in high-performance optoelectronic systems, necessitating precise strain-doping co-optimization to avoid performance degradation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Dichlorinated Dithienylethene-Based Copolymers for Air-Stable n-Type Conductivity and Thermoelectricity

Here, two donor-acceptor polymers were obtained by coupling difluoro- and dichloro-substituted forms of the electron-deficient unit BDOPV and the relatively weak donor moiety dichlorodithienylethene (ClTVT). The conductivity and power factors of doped devices are different for the chlorinated and fluorinated BDOPV polymers. High electron conductivity of 38.3 and 16.1 S cm -1 were obtained from the chlorinated and fluorinated polymers with N-DMBI, respectively, and 12.4 and 2.4 S cm -1 were obtained from the chlorinated and fluorinated polymers with CoCp 2 , respectively, from drop-cast devices. The corresponding power factors are 22.7, 7.6, 39.5 and 8.0 μW m -1 K -2 , respectively. Doping of PClClTVT with N-DMBI results in excellent air-stability; the electron conductivity of devices with 50 mol% N-DMBI as dopant remained up to 4.9 S m -1 after 222 days in the air, the longest for an n-doped polymer stored in air, with a thermoelectric power factor of 9.3 μW m -1 K -2 . However, the conductivity of PFClTVT-based devices can hardly be measured after 103 days. These observations are consistent with morphologies determined by grazing incidence wide angle X-ray scattering (GIWAXS) and atomic force microscopy (AFM). The results demonstrate that chemical structures leading to dense and ordered packing can enhance electron conductivity and air stability of n-type donor-acceptor polymers.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Enhanced negative thermal expansion of boron-doped Fe 43 Mn 28 Ga 28.97 B 0.03 alloy

Enhanced negative thermal expansion (NTE) properties are achieved by introducing a little amount of boron in the Fe 43 Mn 28 Ga 28.97 B 0.03 alloy. As a result, this alloy shows a giant NTE coefficient of alpha(1) = -79.7 x 10 -6 K -1 in a wide temperature range from 277 K to 136 K. Compared to the NTE characteristics in Fe 43 Mn 28 Ga 29 , the NTE operation temperature window has expanded by 74% with the corresponding coefficient of thermal expansion increased by 57% within the NTE temperature window for the boron-doped Fe 43 Mn 28 Ga28.97B0.03. Additionally, in-situ synchrotron high-energy X-ray diffraction results suggest that by boron substitution, the large unit cell volume change across martensitic transformation and the wide phase transition temperature interval are responsible for the pronounced NTE behavior in Fe 43 Mn 28 Ga 28.97 B 0.03 . Moreover, for the Fe 43 Mn 28 Ga 28.97 B 0.03 NTE material, the compressive strength and strain are significantly improved compared with that of Fe 43 Mn 28 Ga 29 . The present study indicates that Fe 43 Mn 28 Ga 28.97 B 0.03 with enhanced NTE across martensitic transformation may be used for practical application as thermal-expansion compensators.

36 MATERIALS SCIENCE↗
DOE OSTI2021

CHARGED POINT DEFECTS AND DEFECT COMPLEXES IN PHOSPHORENE AND STRUCTURAL PREDICTION OF TAU-11, A DENSITY FUNCTIONAL THEORY APPROACH

With the advent of powerful computers, first principle calculations have become a robust and reliable tool to complement experiments in the study of materials. First principle calculations such as density functional theory can be used to guide experiments to save time and effort when it comes to new and advanced materials discovery. Study of charge defects in materials and crystal structure prediction are such areas in which density functional theory calculations facilitate the prediction of defect formation energy, charge transition levels and elemental site occupations. Experimentally, studying charge defects requires inferring results from various techniques. Likewise, determining site occupancies for similar elements using experimental techniques is challenging and sometimes impossible. In this work, we study the charged intrinsic and extrinsic defects and defect complexes in phosphorene and determine the site occupancies of Al, Fe and Si in the τ11 phase using density functional theory. In the defect work, we calculate the defect formation energy, charge transition level, binding energies and Stokes shift for vacancy, dopant substitution and dopant-vacancy defect complexes in phosphorene. We found that vacancy defect in phosphorene becomes negatively charged in n-type doping and may passivate the dopants and reduce carrier concentration and mobility. For non-metal dopants in phosphorene, we predict that O, S and Si prefer to form dopant-vacancy complexes removing the vacancy defect states from the band gap. Mn dopant-vacancy defect complex exhibits possibility of switching between two magnetic spin states. Lastly, using density functional theory, we complement the results from neutron powder diffraction to determine the site occupancies of Al and Si in τ11 phase which was used to determine the alloying element to develop a high temperature and low density alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Topological Hall Effect in Antiferromagnetic Co-Doped Fe 3 GaTe 2

Fe 3 GaTe 2 is van der Waals (vdW) ferromagnet with a Curie temperature T C ranging from 350 K to 380 K, followed upon cooling by a ferrimagnetic transition near room temperature. Substituting Fe with Co was previously reported to induce antiferromagnetism (AFM) at a Co fraction dependent Néel temperature TN. In this work, we confirm the overall phase diagram of the Fe 3-x Co x GaTe 2 series as a function of x and temperature via magnetization and electrical transport measurements. For x ≥ 0.6 the Hall effect is observed to mimic the magnetization as the AF ground state is suppressed by the external magnetic field via a metamagnetic transition, thus displaying an anomalous Hall response. At low temperatures, we also observe a pronounced topological Hall signal peaking at μ 0 H = 4 T, or within the metamagnetic transition region of fields. This observation points to the presence of magnetic field-induced chiral spin textures, such as skyrmions upon approaching magnetization saturation. Remarkably, magnetic force microscopy (MFM) reveals the emergence of nearly circular magnetic domains, with diameters on the order of 100–200 nm, within the antiferromagnetic phase. Here, a detailed analysis of the MFM images indicates that the topological Hall effect is closely linked to the field-induced stabilization of magnetic domain structures, likely exhibiting chiral textures. This observation suggests the possible formation of skyrmions already in the AFM phase, i.e., AFM skyrmions, that evolve into ferromagnetic (FM) ones upon increasing the magnetic field. Consequently, Co-doped Fe 3 GaTe 2 might provide a platform to investigate the transformation of skyrmions, initially coupled antiferromagnetically into ferromagnetic skyrmions, and to explore its impact on the topological and skyrmion Hall effects.

anomalous Hall effect↗
DOE OSTI2020

Realizing gapped surface states in the magnetic topological insulator Mn Bi 2 - x Sb x Te 4

The interplay between magnetism and nontrivial topology in magnetic topological insulators (MTIs) is expected to give rise to exotic topological quantum phenomena like the quantum anomalous Hall effect and the topological axion states. A key to assessing these novel properties is to realize gapped topological surface sates. MnBi 2 Te 4 possesses nontrivial band topology with an intrinsic antiferromagnetic state. However, the highly electron-doped nature of the MnBi 2 Te 4 crystals obstructs the exhibition of the surface band gap. Here, we tailor the material through Sb substitution to reveal the gapped surface states in MnBi 2-x Sb x Te 4 . By shifting the Fermi level into the bulk band gap, we access the surface states and show a band gap of 50 meV at the Dirac point from quasiparticle interference measured by scanning tunneling microscopy (STM). Surface-dominant conduction is confirmed through transport spectroscopy measured by multiprobe STM below the Néel temperature. The surface band gap is robust against the out-of-plane magnetic field despite the promotion of field-induced ferromagnetism. Finally, the realization of bulk-insulating MTIs with the large exchange gap offers a promising platform for exploring emergent topological phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗