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At least 37 records · Page 2

Pressure-Dependent Magnetic Properties of Quasi-2D Cr 2 Si 2 Te 6 and Mn 3 Si 2 Te 6

Recently, pressure has been used to induce structural and magnetic phase transitions in many layered quantum materials whose layers are linked by van der Waals forces. Materials with such weakly held layers allow for relatively easy manipulation of the superexchange mechanism, which can give rise to novel magnetic behavior. Here, using hydrostatic pressure as a disorderless means to manipulate the interlayer coupling, we applied pressure on two quasi-2D sister compounds, namely, Cr 2 Si 2 Te 6 (CST) and Mn 3 Si 2 Te 6 (MST), up to ~1 GPa. Magnetic property measurements with the application of pressure revealed that the ferromagnetic transition temperature decreases in CST, while the opposite occurs for the ferrimagnetic MST. In MST, magnetization decreases with the increase in pressure, and such a trend is not clearly observed within the pressure range studied for CST. The overall pressure effect on magnetic characteristics such as exchange couplings and magnetic anisotropy energies is also examined theoretically using density functional theory. Exchange coupling in MST is strongly frustrated, and the first nearest neighbor interaction is the most dominant of the components with the strongest pressure dependence. In CST, the exchange coupling parameters exhibit very little dependence on pressure. This combined experimental and theoretical work has the potential to expand to other relevant quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Reconstructing the Wave Function of Magnetic Topological Insulators MnBi 2 ⁢Te 4 and MnBi 4 ⁢Te 7 Using Spin-Resolved Photoemission

Despite their importance for exotic quantum effects, the surface electronic structure of magnetic topological insulators MnBi 2 ⁢Te 4 and MnBi 4 ⁢Te 7 remains poorly understood. Using high-efficiency spin- and angle-resolved photoemission spectroscopy, we directly image the spin-polarization and orbital character of the surface states in both compounds and map our observations onto a model wave function to describe the complex spin-orbital texture, which solidifies our understanding of the surface band structure by establishing the single-band nature of the most prominent states. Most importantly, our analysis reveals a new mechanism for reducing the magnetic gap of the topological surface states based on the orbital composition of the wave function.

Han, Xue [SLAC National Accelerator Laboratory (SL↗

Pressure-induced creation and annihilation of Weyl points in T d - Mo 0.5 W 0.5 Te 2 and 1 T " - Mo 0.5 W 0.5 Te 2

By means of first-principles density-functional theory calculations, we investigate the role of hydrostatic pressure in the electronic structure of the T d (Pmn2 1 ) and 1T" (Pm) phases of the Weyl semimetal Mo 0.5 W 0.5 Te 2 , which is a promising material for phase-change memory technology and superconductivity. We particularly focus on changes occurring in the distribution of the gapless Weyl points (WPs) within the 0 to 45 GPa pressure range. Here we further investigate the structural phase transition and lattice dynamics of the T d and 1T" phases within the aforementioned pressure range. Our calculations suggest that both the T d and 1T" phases of Mo 0.5 W 0.5 Te 2 host four WPs in their full Brillouin zone at zero pressure. The total number of WPs increases to 44 (36) with increasing pressure via pair creation up to 20 (15) GPa for the T d (1T") phase, and beyond this pressure pair annihilation of WPs starts occurring, leaving only 16 WPs at 45 GPa in both phases. The enthalpy versus pressure data reveal that the 1T" phase is more favorable below the critical pressure of 7.5 GPa; however, beyond this critical pressure the T d phase becomes enthalpically favorable. We also provide the calculated x-ray diffraction spectra along with the calculated Raman- and infrared-active phonon frequencies to facilitate the experimental identification of the studied phases

36 MATERIALS SCIENCE↗

A search for decays of the Higgs boson to invisible particles in events with a top-antitop quark pair or a vector boson in proton-proton collisions at $$\sqrt{s} = 13\,\text {Te}\hspace{-.08em}\text {V} $$

A search for decays to invisible particles of Higgs bosons produced in association with a top-antitop quark pair or a vector boson, which both decay to a fully hadronic final state, has been performed using proton-proton collision data collected at $\sqrt{s} = 13$ TeV by the CMS experiment at the LHC, corresponding to an integrated luminosity of 138fb -1 . The 95% confidence level upper limit set on the branching fraction of the 125 GeV Higgs boson to invisible particles, B(H → inv), is 0.54 (0.39 expected), assuming standard model production cross sections. The results of this analysis are combined with previous B(H → inv) searches carried out at $\sqrt{s} = 7$, 8, and 13 TeV in complementary production modes. The combined upper limit at 95% confidence level on B(H → inv) is 0.15 (0.08 expected).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Shot noise and differential conductance as signatures of putative topological superconductivity in FeSe 0.45 ⁢Te 0.55

We present a theory for the differential shot noise, dS/dV, as measured via shot-noise scanning tunneling spectroscopy, and the differential conductance, dI/dV, for tunneling into Majorana zero modes (MZMs) in the putative topological superconductor FeSe 0.45 Te 0.55 . We demonstrate that for tunneling into chiral Majorana edge modes near domain walls, as well as MZMs localized in vortex cores and at the end of defect lines, dS/dV vanishes whenever dI/dV reaches a quantized value proportional to the quantum of conductance. Furthermore, these results are independent of the particular orbital tunneling path, thus establishing a vanishing dS/dV concomitant with a quantized dI/dV, as universal signatures for Majorana modes in two-dimensional topological superconductors, irrespective of the material’s specific complex electronic band structure.

Iron-based superconductors↗

Constraints on Λ CDM extensions from the SPT-3G 2018 $EE$ and $TE$ power spectra

Here, we present constraints on extensions to the Λ CDM cosmological model from measurements of the E-mode polarization autopower spectrum and the temperature-E-mode cross-power spectrum of the cosmic microwave background (CMB) made using 2018 SPT-3G data. The extensions considered vary the primordial helium abundance, the effective number of relativistic degrees of freedom, the sum of neutrino masses, the relativistic energy density and mass of a sterile neutrino, and the mean spatial curvature. We do not find clear evidence for any of these extensions, from either the SPT-3G 2018 dataset alone or in combination with baryon acoustic oscillation and Planck data. None of these model extensions significantly relax the tension between Hubble-constant, H 0 , constraints from the CMB and from distance-ladder measurements using Cepheids and supernovae. The addition of the SPT-3G 2018 data to Planck reduces the square-root of the determinants of the parameter covariance matrices by factors of 1.3–2.0 across these models, signaling a substantial reduction in the allowed parameter volume. We also explore CMB-based constraints on H 0 from combined SPT, Planck, and ACT DR4 datasets. While individual experiments see some indications of different H 0 values between the TT, TE, and EE spectra, the combined H 0 constraints are consistent between the three spectra. For the full combined datasets, we report H 0 = 67.49 ± 0.53 km s -1 Mpc -1 , which is the tightest constraint on H0 from CMB power spectra to date and in 4.1σ tension with the most precise distance-ladder-based measurement of H 0 . The SPT-3G survey is planned to continue through at least 2023, with existing maps of combined 2019 and 2020 data already having ~ 3.5 x lower noise than the maps used in this analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

Potential neutron-induced γ-ray background on natural tellurium relevant to 130 Te 0 ν ββ decay searches at the CUORE and SNO+ detectors

Gamma-ray production cross-section data have been obtained for the inelastic neutron scattering reactions 126,128,130 Te(n,n'γ) at five neutron energies between 3.6 and 10 MeV. We report data for the γ-ray energy region relevant to 0ν ββ decay of 130 Te with a Q ββ value of 2527.515 keV, assuming natural-abundance tellurium, as used at CUORE and SNO+. The natural abundance of 130 Te, 128 Te, and 126 Te is 34%, 32%, and 19%, respectively. For CUORE the γ-ray cascades from the excited state in 130 Te at 2527.06 keV and in 126 Te at 2533.85 keV are of concern. For SNO+, accounting for its inferior energy resolution, an additional four levels are important in 130 Te, an additional nine levels in 128 Te, and an additional eight levels in 126 Te. Of these, we report neutron-induced γ-ray production cross sections for the strongest transitions: the 2581.15 keV level in 130 Te, the 2494.20, 2508.06, and 2630.14 keV levels in 128 Te, and the 2496.83 and 2585.46 keV level in 126 Te. Here, the largest cross-section values were found for cascade γ-ray transitions to the ground state, while direct transitions to the ground state are very weak and were not observed in the present work. Both the CUORE and SNO+ detectors, however, may not be able to distinguish between cascade transitions and direct transitions to the ground state, making the neutron-induced excitation of the 2527.06 keV state of 130 Te in particular a potential problem for 0νββ decay searches of 130Te, because it matches its Q ββ value.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Materials Data on Te by Materials Project

Te is alpha Po structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Te sites. In the first Te site, Te is bonded to six Te atoms to form a mixture of corner and edge-sharing TeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Te–Te bond distances ranging from 3.10–3.31 Å. In the second Te site, Te is bonded to six Te atoms to form a mixture of corner and edge-sharing TeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. Both Te–Te bond lengths are 3.20 Å.

36 MATERIALS SCIENCE↗

Materials Data on Te by Materials Project

Te is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Te sites. In the first Te site, Te is bonded to six Te atoms to form a mixture of distorted edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Te–Te bond distances ranging from 3.06–3.46 Å. In the second Te site, Te is bonded to six Te atoms to form a mixture of distorted edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. Both Te–Te bond lengths are 3.13 Å.

36 MATERIALS SCIENCE↗

Phonon modes and Raman signatures of MnBi 2n Te 3n+1 (n=1,2,3,4) magnetic topological heterostructures

An intrinsic antiferromagnetic topological insulator MnBi 2 Te 4 arises when intercalating a Mn-Te bilayer chain in a topological insulator, Bi 2 Te 3 . We present observations on the inter- and intralayer phonon modes of the generalized MnBi 2n Te 3n+1 (n=1,2,3,4) family using cryogenic low-frequency Raman spectroscopy with various polarization configurations. Two peaks at 66 and 112 cm –1 show abnormal perturbation in Raman linewidths below magnetic transition temperature due to spin-phonon coupling. In MnBi 4 Te 7 , B i2 Te 3 layers induce Davydov splitting of the A1g mode around 137 cm –1 at 5 K. The out-of-plane interlayer force constant estimated using the linear chain model was (3.98±0.14)×10 19 N/m 3 , three times weaker than that of Bi 2 Te 3 . Adding more Bi 2 Te 3 layers, such as MnBi 6 Te 10 and MnBi 8 Te 13 , makes Bi 2 Te 3 properties more dominant than magnetic properties. Our work experimentally and theoretically discovers the dynamics of phonon modes of MnBi 2n Te 3n+ 1 family, facilitating utilization of magnetic topological heterostructures.

74 ATOMIC AND MOLECULAR PHYSICS↗

Superconducting Fourfold Fe(Te,Se) Film on Sixfold Magnetic MnTe via Hybrid Symmetry Epitaxy

Epitaxial Fe(Te,Se) thin films have been grown on various substrates but never been grown on magnetic layers. In this work, we report the epitaxial growth of fourfold Fe(Te,Se) film on a sixfold antiferromagnetic insulator, MnTe. The Fe(Te,Se)/MnTe heterostructure shows a clear superconducting transition at around 11 K, and the critical magnetic field measurement suggests the origin of the superconductivity to be bulk-like. Structural characterizations suggest that the uniaxial lattice match between Fe(Te,Se) and MnTe allows a hybrid symmetry epitaxy mode, which was recently discovered between Fe(Te,Se) and Bi 2 Te 3 . Furthermore, the Te/Fe flux ratio during deposition of the Fe(Te,Se) layer is found to be critical for its superconductivity. Now that superconducting Fe(Te,Se) can be grown on two related hexagonal platforms, Bi 2 Te 3 and MnTe, this result opens a new possibility of combining topological superconductivity of Fe(Te,Se) with the rich physics in the intrinsic magnetic topological materials (MnTe) n (Bi 2 Te 3 ) m family.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Materials Data on Te by Materials Project

Te is alpha Selenium structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Te sites. In the first Te site, Te is bonded to six Te atoms to form a mixture of edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are a spread of Te–Te bond distances ranging from 3.07–3.43 Å. In the second Te site, Te is bonded to six equivalent Te atoms to form a mixture of edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedra tilt angles range from 6–7°.

36 MATERIALS SCIENCE↗

Improved thermoelectric performance in Cr-doped two-dimensional Bi 2 Te 3

Thermoelectric materials with high electrical conductivity and low thermal conductivity (e.g., Bi 2 Te 3 ) can efficiently convert waste heat into electricity. However, despite favorable theoretical predictions, individual Bi 2 Te 3 nanostructures such as two-dimensional (2D) nanoplates tend to underperform bulk Bi 2 Te 3 . We report a novel surface doping technique to synthesize highly n-type Bi 2 Te 3 nanoplates using an external Cr coating followed by a thermal annealing process in a reducing atmosphere, as well as the mechanism by which this surface coating – only a few atoms or less in thickness – can observably impact the thermoelectric performance of 2D Bi 2 Te 3 . The Cr atoms act as n-type carrier donors by directly incorporating into the Bi 2 Te 3 structure during thermal annealing, enhancing electrical conductivity by ∼ 70 % while increasing thermal conductivity by only ∼ 5 % at room temperature. Compared to the uncoated Bi 2 Te 3 nanoplate, the Cr-doped Bi 2 Te 3 nanoplate exhibits a doubled thermoelectric figure of merit (zT), which is still relatively low. Raman spectroscopy and chemical potential simulations further confirm that Cr atoms are incorporated into the Bi 2 Te 3 structure.

36 MATERIALS SCIENCE↗

Development of arsenic doped Cd(Se,Te) absorbers by MOCVD for thin film solar cells

Recent developments in CdTe solar cell technology have included the incorporation of ternary alloy Cd(Se,Te) in the devices. CdTe absorber band gap grading due to Se alloying contributes to current density enhancement and can result in device performance improvement. Here we report Cd(Se,Te) polycrystalline thin films grown by a chamberless inline atmospheric pressure metal organic chemical vapour deposition technique, with subsequent incorporation in CdTe solar cells. The compositional dependence of the crystal structure and optical properties of Cd(Se,Te) are examined. Selenium graded Cd(Se,Te)/CdTe absorber structure in devices are demonstrated using either a single CdSe layer or CdSe/Cd(Se,Te) bilayer (with or without As doping in the Cd(Se,Te) layer). Cross-sectional TEM/EDS, photoluminescence spectra and secondary ion mass spectroscopy analysis confirmed the formation of a graded Se profile toward the back contact with a diffusion length of ~1.5 um and revealed back-diffusion of Group V (As) dopants from the CdTe layer into Cd(Se,Te) grains. Due to the strong Se/Te interdiffusion, CdSe in the Se bilayer configuration was unable to form an n-type emitter layer in processed devices. In situ As doping of the Cd(Se,Te) layer benefited the device junction quality with current density reaching 28.3 mA/cm 2 . The results provide useful insights for the optimisation of Cd(Se,Te)/CdTe solar cells.

14 SOLAR ENERGY↗

Quasi-Two-Dimensional Heterostructures (K M 1 – x Te)(LaTe 3 ) ( M = Mn and Zn) with Charge Density Waves

Layered heterostructure materials with two different functional building blocks can teach us about emergent physical properties and phenomena arising from interactions between the layers. Here, we report intergrowth compounds KLaM 1 - x Te 4 (M = Mn and Zn; $x \approx$ 0.35) featuring two chemically distinct alternating layers [LaTe 3 ] and [KM 1 - x Te]. Their crystal structures are incommensurate, determined by single X-ray diffraction for the Mn compound and a transmission electron microscope study for the Zn compound. KLaMn 1 – x Te 4 crystallizes in the orthorhombic superspace group Pmnm(01/2 gamma)s00 with lattice parameters a = 4.4815(3) Å, b = 21.6649(16) Å, and c = 4.5220(3) Å. It exhibits charge density wave order at room temperature with a modulation wave vector q = 1/2b* + 0.3478c* originating from electronic instability of Te-square nets in [LaTe 3 ] layers. The Mn analog exhibits a cluster spin glass behavior with spin freezing temperature $T_f \approx$ 5 K attributed to disordered Mn vacancies and competing magnetic interactions in the [Mn 1 - x Te] layers. The Zn analog also has charge density wave order at room temperature with a similar q-vector having the c* component similar to 0.346 confirmed by selected-area electron diffraction. Electron transfer from [KM 1 - x Te] to [LaTe 3 ] layers exists in KLaM 1 – x Te 4 , leading to an enhanced electronic specific heat coefficient. The resistivities of KLaM 1 - x Te 4 (M = Mn and Zn) exhibit metallic behavior at high temperatures and an upturn at low temperatures, suggesting partial localization of carriers in the [LaTe 3 ] layers with some degree of disorder associated with the M atom vacancies in the [M 1 - x Te] layers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Local Distortions and Metal–Semiconductor–Metal Transition in Quasi-One-Dimensional Nanowire Compounds AV 3 Q 3 O δ (A = K, Rb, Cs and Q = Se, Te)

Metal cluster compounds have garnered renewed interest in the search for novel superconductors and topological semimetals owing to structural instabilities of metal-cluster geometries and broken symmetries. Here we synthesized needle-like crystals of the V-cluster-based quasi-one-dimensional (Q1D) materials AV 3 Q 3 O δ (A = K, Rb, Cs, Q= Se, Te) which can also be viewed as being composed of parallel nanowires. We examine how changes in their average and local structure control their electronic properties. All compounds crystallize in the TIFe 3 Te 3 -type structure (P6 3 /m space group) with infinite (V 3 )Q 3 ) - double-walled columnar chains separated by A + cations. Our single-crystal and synchrotron powder diffraction studies indicate oxygen atoms partially occupy the center site of the V 6 octahedral metal cluster cages in KV 3 Te 3 O 0.33 , RbV 3 Te 3 O 0.32 , and CsV 3 Te 3 O 0.35 , whereas KV 3 Se 3 is structurally oxygen-free. Our synchrotron X-ray pair distribution function (PDF) analyses indicate that the oxygen-free V 6 cluster octahedra in KV 3 Se 3 are highly distorted perpendicular to the chain direction even at room temperature, reducing the symmetry of the average structure from hexagonal P6 3 /m to monoclinic P2 1 /m. Our theoretical calculation supports this P2 1 /m distortion and suggests the structure further distorts to P2 1 or P2 1 /c at lower temperatures. In contrast, the oxygen-centered V-cluster in KV 3 Te 3 O 0.33 exhibits a V-3-triangle-trimerization along the chain direction. This feature is discernible from the local PDF and is consistent with lattice dynamical calculations based on density functional theory. Resistivity measurements indicate that KV 3 Se 3 exhibits metallic behavior, whereas a dramatic metal-semiconductor-metal transition emerges in KV 3 Te 3 O 6.33 , RbV 3 Te 3 O 0.32 , and CsV 3 Te 3 O 0.35 because of oxygen disorder and changes in local structure captured from our electronic structure analyses of the Fermi surface. Our investigation of the AV 3 Q 3 O 6 family demonstrates the importance of understanding local changes in structure driven by electronic instabilities, which can guide the search for new quantum materials in other low-dimensional cluster-compound materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermoelectric Performance of the 2D Bi 2 Si 2 Te 6 Semiconductor

Bi 2 Si 2 Te 6 , a 2D compound, is a direct band gap semiconductor with an optical band gap of 0.25 eV, and is a promising thermoelectric material. Single-phase Bi 2 Si 2 Te 6 is prepared by a scalable ball-milling and annealing process and the highly densified polycrystalline samples are prepared by spark plasma sintering. Bi 2 Si 2 Te 6 shows a p-type semiconductor transport behavior and exhibits an intrinsically low lattice thermal conductivity of ~0.48 Wm -1 K -1 (cross-plane) at 573 K. The first-principles density functional theory calculations indicate that such low lattice thermal conductivity is derived from the interactions between acoustic phonons and low-lying optical phonons, local vibrations of Bi, the low Debye temperature and strong anharmonicity result from the unique 2D crystal structure and metavalent bonding of Bi 2 Si 2 Te 6 . The Bi 2 Si 2 Te 6 exhibits an optimal figure of merit ZT of ~0.51 at 623 K, which can be further enhanced by the substitution of Bi with Pb. Pb doping leads to a large increase in power factor S 2 σ, from ~4.0 μWcm -1 K- 2 of Bi 2 Si 2 Te 6 to ~8.0 μWcm -1 K -2 of Bi 1.98 Pb 0.02 Si 2 Te 6 at 775 K, owing to the increase in carrier concentration. Moreover, Pb doping induces a further reduction in the lattice thermal conductivity to ~0.38 Wm -1 K -1 (cross-plane) at 623 K in Bi 1.98 Pb 0.02 Si 2 Te 6 ,. The simultaneous optimization of the power factor and lattice thermal conductivity achieves a peak ZT of ~0.90 at 723 K and a high average ZT of ~0.66 at 400–773 K in Bi 1.98 Pb 0.02 Si 2 Te 6 .

36 MATERIALS SCIENCE↗