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At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Fractionation of REE, U, and Th in natural ore-forming hydrothermal systems: Thermodynamic modeling

This contribution presents a thermodynamic model revealing the mechanisms responsible for separation of Heavy and Light Rare Earth (HREE and LREE) phosphates in natural hydrothermal systems at temperatures of 250–350 °C. Our calculations were performed for an isothermal column of rock containing 0.5 wt% of apatite (Ca phosphate), which served as an immobilizing agent for REE dissolved in the solution. REE were transported by 10 wt% NaCl acidic solution. The model accounted for formation of REE phosphate solid solutions through a regular mixing model. It demonstrates that hydrothermal flushing can efficiently separate REE forming xenotime (HREE phosphate solid solutions) at the beginning of the column, and re-transportation of monazite (LREE rich) to the end of the column. This separation is primarily due to the fact that at elevated temperatures stability LREE chloride complexes is significantly higher than that for HREE. The model also evaluates behavior of U and Th, which accompany REE in vast majority of natural locations. It was found that U strongly fractionates to xenotime, whereas Th fractionates to monazite. Finally, this phenomenon can be explained by the differences in crystal-chemical characteristics between monazite and xenotime, and the mobility of Th in aqueous solutions at elevated temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Quantitative examination of carbide and sulphide precipitates in chemically complex steels processed by direct strip casting

A high strength low alloy steel composition has been melted and processed by two different routes: simulated direct strip casting and slow cooled ingot casting. The microstructures were examined with scanning and transmission electron microscopy, atom probe tomography and small angle neutron scattering (SANS). The formation of cementite (Fe{sub 3}C), manganese sulphides (MnS) and niobium carbo-nitrides (Nb(C,N)) was investigated in both casting conditions. The sulphides were found to be significantly refined by the higher cooling rate, and developed an average diameter of only 100 nm for the fast cooled sample, and a diameter too large to be measured with SANS in the slow cooled condition (> 1.1 μm). Slow cooling resulted in the development of classical Nb(C,N) precipitation, with an average diameter of 7.2 nm. However, after rapid cooling both the SANS and atom probe tomography data indicated that the Nb was retained in the matrix as a random solid solution. There was also some evidence that O, N and S are also retained in solid solution in levels not found during conventional processing. - Highlights: • The influence of cooling rate on microstructure is investigated in a HSLA steel. • SANS, TEM and APT are used to characterise the sulphides and Nb(C,N) precipitates. • The slow cooling rate result in the formation of Nb(C,N) precipitates. • The fast cooling rate results in a microstructure supersaturated in Nb, C and N. • The sulphides are 100 nm in the fast cooled sample and > 1 μm in the slow cooled one.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effect of Irradiation on Strengthening of a Model Fe-9Cr Oxide Dispersion Strengthened Alloy

The growing energy demand will increasingly call upon advanced nuclear reactors to supply safe and reliable energy worldwide. However, structural and cladding materials in these reactors will be subject to extreme conditions of up to a few hundred displacements per atom (dpa) at temperatures as high as 600 deg. C. Oxide dispersion strengthened (ODS) alloys are leading candidates for these components because their dispersion of Y-Ti-O nanoclusters provides high strength at elevated temperatures and dimensional stability under irradiation. But recent work has suggested that the oxides are unstable under irradiation, which has serious implications on mechanical performance. Thus, the objective of this work is to understand the change in strengthening mechanisms of an Fe-9Cr ODS alloy under irradiation. We use two approaches to assess strengthening of a proton-irradiated and neutron-irradiated Fe-9Cr ODS. First, nanoindentation directly measures changes in yield strength. Second, microstructure measurements are passed through models of two strengthening mechanisms. Results of these two approaches are compared to infer the strengthening mechanisms in the irradiated ODS alloy. A model Fe-9Cr ODS steel was irradiated to 3 dpa at 500 deg. C using either 2.0 MeV protons or a fast neutron spectrum. Both irradiation types induced the formation of dislocation loops and voids. Both proton and neutron irradiation resulted in dissolution of oxide nanoclusters, though neutron irradiation led to much more extensive oxide nano-cluster dissolution. The irradiated microstructure was used to predict irradiation hardening by considering both the precipitation strengthening and solid solution strengthening mechanisms. Due to more extensive oxide nano-cluster dissolution under neutron irradiation, the solid solution strengthening mechanism must be considered in order for the predicted change in yield strength to be comparable to that measured by nanoindentation. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2013

Crystal structure and magnetic properties of the Cr-doped spiral antiferromagnet BiMnFe{sub 2}O{sub 6}

Graphical abstract: - Highlights: • The substitution of Cr for Mn in BiMnFe{sub 2}O{sub 6} is possible by the solution–gel method. • The BiCr{sub x}Mn{sub 1−x}Fe{sub 2}O{sub 6} solid solution is obtained for the x values up to 0.3. • Increasing Cr content lowers the temperature of the antiferromagnetic ordering. - Abstract: We report the Cr{sup 3+} for Mn{sup 3+} substitution in the BiMnFe{sub 2}O{sub 6} structure. The BiCr{sub x}Mn{sub 1−x}Fe{sub 2}O{sub 6} solid solution is obtained by the solution–gel synthesis technique for the x values up to 0.3. The crystal structure investigation using a combination of X-ray powder diffraction and transmission electron microscopy demonstrates that the compounds retain the parent BiMnFe{sub 2}O{sub 6} structure (for x = 0.3, a = 5.02010(6)Å, b = 7.06594(7)Å, c = 12.6174(1)Å, S.G. Pbcm, R{sub I} = 0.036, R{sub P} = 0.011) with only a slight decrease in the cell parameters associated with the Cr{sup 3+} for Mn{sup 3+} substitution. Magnetic susceptibility measurements suggest strong similarities in the magnetic behavior of BiCr{sub x}Mn{sub 1−x}Fe{sub 2}O{sub 6} (x = 0.2; 0.3) and parent BiMnFe{sub 2}O{sub 6}. Only T{sub N} slightly decreases upon Cr doping that indicates a very subtle influence of Cr{sup 3+} cations on the magnetic properties at the available substitution rates.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Crystal growth, electronic structure, and properties of Ni-substituted FeGa{sub 3}

Crystals of the Fe{sub 1−x}Ni{sub x}Ga{sub 3} limited solid solution (x<0.045) have been grown from gallium flux. We have explored the electronic structure as well as magnetic and thermoelectric properties of Fe{sub 0.975}Ni{sub 0.025}Ga{sub 3} in comparison with Fe{sub 0.95}Co{sub 0.05}Ga{sub 3}, following the rigid band approach and assuming that one Ni atom donates twice the number of electrons as one Co atom. However, important differences between the Co- and Ni-doped compounds are found below 620 K, which is the temperature of the metal-to-insulator transition for both compounds. We have found that Fe{sub 0.975}Ni{sub 0.025}Ga{sub 3} displays lower degree of spatial inhomogeneity on the local level and exhibits diamagnetic behavior with a broad shallow minimum in the magnetic susceptibility near 35 K, in sharp contrast with the Curie–Weiss paramagnetism of Fe{sub 0.95}Co{sub 0.05}Ga{sub 3}. Transport measurements have shown the maximum of the thermoelectric figure-of-merit ZT of 0.09 and 0.14 at 620 K for Fe{sub 0.975}Ni{sub 0.025}Ga{sub 3} and Fe{sub 0.95}Co{sub 0.05}Ga{sub 3}, respectively. - Graphical abstract: Crystals of Ni-substituted FeGa{sub 3} up to 8 mm long were grown from gallium flux (see Figure for the temperature profile and crystal shape) that allowed studying magnetic and thermoelectric properties of the title solid solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Phase equilibria in the Tb-Mg-Co system at 500 °C, crystal structure and hydrogenation properties of selected compounds

The isothermal section of the Tb–Mg–Co phase diagram at 500 °C has been built on the basis of XRD analysis of forty samples prepared by powder metallurgy. The existence of two ternary compounds Tb{sub 4}Mg{sub 3}Co{sub 2} and Tb{sub 4}MgCo was confirmed. The formation of two solid solutions, Tb{sub 1−x}Mg{sub x}Co{sub 3} (0≤x≤0.4) and Tb{sub 1-−x}Mg{sub x}Co{sub 2} (0≤x≤0.6), was found for the first time. It is shown that Tb{sub 5}Mg{sub 24} also dissolves a small amount of Co. Other binary compounds do not dissolve the third component. The Tb{sub 4}MgCo and TbMgCo{sub 4} compounds form hydrides (12.7 and 5.3 at.H/f.u. capacity, respectively) that retain the original structure of metallic matrices. Upon thermal desorption the Tb{sub 4}MgCoH{sub 12.7} hydride was stable up to 300 °C and disproportionated at higher temperature. Two other hydrides, Tb{sub 4}Mg{sub 3}Co{sub 2}H{sub ∼4} and Tb{sub 2}MgCo{sub 9}H{sub 12}, are unstable in air and decompose into the initial compounds. - Highlights: • The phase equilibria at 500 °°C in the Tb–Mg–Co system has been studied. • The existence of two ternary compounds, Tb{sub 4}Mg{sub 3}Co{sub 2} and Tb{sub 4}MgCo, was confirmed. • The formation of two solid solutions, Tb{sub 1−x}Mg{sub x}Co{sub 3} and Tb{sub 1−x}Mg{sub x}Co{sub 2}, was found. • Hydrogen sorption–desorption properties have been studied for the selected alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

An investigation of the optical properties and water splitting potential of the coloured metallic perovskites Sr{sub 1−x}Ba{sub x}MoO{sub 3}

The solid solution Sr{sub 1−x}Ba{sub x}MoO{sub 3} (x=0.00, 0.025, 0.050, 0.075, 0.100 and 1.00) has been synthesised. Rietveld refinement of X-ray diffraction data shows that all materials crystallise with cubic (Pm-3m) symmetry and that a miscibility gap exists from x=0.1–1.0. The optical properties of the metallic perovskites Sr{sub 1−x}Ba{sub x}MoO{sub 3} have been investigated by a combination of UV–vis spectroscopy and density functional theory (DFT). Upon increasing x from 0 to 1 in Sr{sub 1−x}Ba{sub x}MoO{sub 3} there is a reduction in the measured band gap from 2.20 eV to 2.07 eV. The measured band gap is attributed to the electronic transition from the Mo 4d t{sub 2g} band to the e{sub g} band. The potential of SrMoO{sub 3} and BaMoO{sub 3} as water-splitting photocatalysts was explored but there was no evidence of hydrogen or oxygen evolution, even with the presence of a Pt co-catalyst. - Graphical abstract: Ultraviolet–visible absorbance spectra (converted from diffuse reflectance spectra) for SrMoO{sub 3} and BaMoO{sub 3}. - Highlights: • The solid solution Sr{sub 1-x}Ba{sub x}MoO{sub 3} has been synthesised. • A miscibility gap exists from x=0.1–1.0 in Sr{sub 1−x}Ba{sub x}MoO{sub 3.} • Upon increasing x from 0 to 1 in Sr{sub 1−x}Ba{sub x}MoO{sub 3} there is a reduction in the measured band gap from 2.20 eV to 2.07 eV. • The potential of SrMoO{sub 3} and BaMoO{sub 3} as water-splitting photocatalysts was explored but there was no evidence of hydrogen or oxygen evolution, even with the presence of a Pt co-catalyst.

36 MATERIALS SCIENCE↗
DOE OSTI2016

The isothermal section of Gd–Ni–Si system at 1070 K

The Gd–Ni–Si system has been investigated at 1070 K by X-ray and microprobe analyses. The existence of the known compounds, i.e.: GdNi{sub 10}Si{sub 2}, GdNi{sub 8}Si{sub 3}, GdNi{sub 5}Si{sub 3}, GdNi{sub 7}Si{sub 6}, GdNi{sub 6}Si{sub 6}, GdNi{sub 4}Si, GdNi{sub 2}Si{sub 2}, GdNiSi{sub 3}, Gd{sub 3}Ni{sub 6}Si{sub 2}, GdNiSi, GdNiSi{sub 2}, GdNi{sub 0.4}Si{sub 1.6}, Gd{sub 2}Ni{sub 2.35}Si{sub 0.65}, Gd{sub 3}NiSi{sub 2}, Gd{sub 3}NiSi{sub 3} and Gd{sub 6}Ni{sub 1.67}Si{sub 3}, has been confirmed. Moreover, five new phases have been identified in this system. The crystal structure for four of them has been determined: Gd{sub 2}Ni{sub 16−12.8}Si{sub 1−4.2} (Th{sub 2}Zn{sub 17}-type), GdNi{sub 6.6}Si{sub 6} (GdNi{sub 7}Si{sub 6}-type), Gd{sub 3}Ni{sub 8}Si (Y{sub 3}Co{sub 8}Si-type) and Gd{sub 3}Ni{sub 11.5}Si{sub 4.2}(Gd{sub 3}Ru{sub 4}Ga{sub 12}-type). The compound with composition ~Gd{sub 2}Ni{sub 4}Si{sub 3} still remains with unknown structure. Quasi-binary phases, solid solutions, were detected at 1070 K to be formed by the binaries GdNi{sub 5}, GdNi{sub 3}, GdNi{sub 2}, GdNi, GdSi{sub 2} and GdSi{sub 1.67}; while no appreciable solubility was observed for the other binary compounds of the Gd–Ni–Si system. Magnetic properties of the GdNi{sub 6}Si{sub 6}, GdNi{sub 6.6}Si{sub 6} and Gd{sub 3}Ni{sub 11.5}Si{sub 4.2} compounds have also been investigated and are here reported. - Graphical abstract: The Gd–Ni–Si system has been investigated at 1070 K by X-ray and microprobe analyses. The known GdNi{sub 10}Si{sub 2}, GdNi{sub 8}Si{sub 3}, GdNi{sub 5}Si{sub 3}, GdNi{sub 7}Si{sub 6}, GdNi{sub 6}Si{sub 6}, GdNi{sub 4}Si, GdNi{sub 2}Si{sub 2}, GdNiSi{sub 3}, Gd{sub 3}Ni{sub 6}Si{sub 2}, GdNiSi, GdNiSi{sub 2}, GdNi{sub 0.4}Si{sub 1.6}, Gd{sub 2}Ni{sub 2.35}Si{sub 0.65}, Gd{sub 3}NiSi{sub 2}, Gd{sub 3}NiSi{sub 3} and Gd{sub 6}Ni{sub 1.67}Si{sub 3} compounds have been confirmed and five new ~Gd{sub 2}Ni{sub 4}Si{sub 3} (unknown type), Gd{sub 2}Ni{sub 16−12.8}Si{sub 1−4.2} (Th{sub 2}Zn{sub 17}-type), GdNi{sub 6.6}Si{sub 6} (GdNi{sub 7}Si{sub 6}-type), Gd{sub 3}Ni{sub 8}Si (Y{sub 3}Co{sub 8}Si-type) and Gd{sub 3}Ni{sub 11.5}Si{sub 4.2} (Gd{sub 3}Ru{sub 4}Ga{sub 12}-type) compounds have been detected in Gd–Ni–Si system at 1070 K. Quasi-binary phases, solid solutions, were detected at 1070 K to be formed by the binaries GdNi{sub 5}, GdNi{sub 3}, GdNi{sub 2}, GdNi, GdSi{sub 2} and GdSi{sub 1.67}; while no detectable solubility was observed for the other binary compounds of the Gd–Ni–Si system. Magnetic properties of the GdNi{sub 6}Si{sub 6}, GdNi{sub 6.6}Si{sub 6} and Gd{sub 3}Ni{sub 11.5}Si{sub 4.2} compounds have also been investigated and are here reported. - Highlights: • Gd–Ni–Si isothermal section was obtained at 1070 K. • Sixteen known ternary gadolinium nickel silicides were confirmed in Gd–Ni–Si. • Five new gadolinium nickel silicides were detected in Gd–Ni–Si. • GdNi{sub 6}Si{sub 6}, GdNi{sub 6.6}Si{sub 6} and Gd{sub 3}Ni{sub 11.5}Si{sub 4.2} show ferromagnetic-type ordering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

In Situ TEM for Structural and Chemical Evolutions of Bimetallic Pt–Ni Nanoparticles at Elevated Temperatures: Implications for Heterogeneous Catalysis

Platinum-based bimetallic nanoparticles (NPs) are of great interest for their applications in catalysis. The catalytic properties of these NPs are significantly dependent on their morphology, structure, and composition, whose response to thermal input remains challenging to be fully understood. This study investigates the thermally induced structural and chemical evolutions of single-crystalline Pt-Ni NPs using in situ transmission electron microscopy. The observed morphological evolution includes the facet development from a truncated octahedron to a spherical-like isotropic shape, followed by the formation of pancake-like ellipsoid shape at high temperatures due to surface atom migration and interfacial wetting enabled by the particle-substrate interaction. Comparative investigations by in situ scanning transmission electron microscopy with energy dispersive X-ray spectroscopy mapping elucidate that the solid-solution compositional configuration can be retained over a large temperature range, while core-shell NPs undergo irreversible solid-solution transitions through chemical homogenization at elevated temperatures. Finally, these findings elucidate the effect of thermal input on structural evolution and compositional redistribution of Pt-Ni bimetallic NPs, offering valuable insights into the design of heterogeneous catalysts.

25 ENERGY STORAGE↗
DOE OSTI2013

Structural evolution, sintering behavior and microwave dielectric properties of (1−x)Li{sub 2}TiO{sub 3} + xLiF ceramics

Graphical abstract: - Highlights: • Structure, sinterability and dielectric properties of LiF-doped Li{sub 2}TiO{sub 3} were studied. • Li{sub 2}TiO{sub 3} can be densitied (TD 98%) at lower sintering temperature by LiF additions. • Excellent microwave dielectric properties could be obtained. - Abstract: Structural evolution, sintering behavior, and microwave dielectric properties of (1−x)Li{sub 2}TiO{sub 3} + xLiF (0.05 ≤ x ≤ 0.70) ceramics have been studied by X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Raman spectra, thermal dilatometry and microwave resonant measurement at the frequency of about 7–11 GHz. The results show that Li{sub 2}TiO{sub 3} can form limited solid solution with LiF (x ≤ 0.4) and LiF second phase appeared when x{sup 3}0.5. The structure of the solid solution transformed from ordered monoclinic phase (β-Li{sub 2}TiO{sub 3} (ss)) to disordered cubic rock salt (α-Li{sub 2}TiO{sub 3} (ss)) when x{sup 3}0.15. The presence of short range ordering was confirmed for the cubic phase. The sinterability was considerably improved by doping with LiF. Densified ceramics with about 95–98% theoretical density could be obtained for the doped compositions after sintering at 900–1150 °C/2 h. An optimized microwave dielectric properties with ε{sub r} of ∼23.6, Q × f of ∼108,000 GHz and τ{sub f} of ∼4.2 ppm/°C could be obtained for the x = 0.1 composition after sintering at 1100 °C/2 h.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Nucleation of Pre-precipitates in Structural Materials under Cascade-Forming Irradiation

A model is proposed to calculate pre-precipitate nucleation rate in supersaturated solid solutions under cascade-forming irradiation. Estimates of the rate of nucleation of copper-enriched clusters in Fe–Cu solid solutions with a copper concentration of 0.05–0.18 at. % due to reactor irradiation are carried out. A comparison with the experimental data on irradiation of structural materials shows that the formation of precipitate nuclei takes place in the cascade region involved at the final stages of cascade relaxation, whose volume is about two times higher than the cascade volume at the dynamic stage.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Fine structure of Fe-Co-Ga and Fe-Cr-Ga alloys with low Ga content

Investigation of Ga influence on the structure of Fe-Cr and Fe-Co alloys was performed with the use of {sup 57}Fe Mössbauer spectroscopy and X-ray diffraction methods. In the alloys of the Fe-Cr system, doping with Ga handicaps the decomposition of solid solutions, observed in the binary alloys, and increases its stability. In the alloys with Co, Ga also favors the uniformity of solid solutions. The analysis of Mössbauer experiments gives some grounds to conclude that if, owing to liquation, clusterization, or initial stages of phase separation, there exist regions enriched in iron, some amount of Ga atoms prefer to enter the nearest surroundings of iron atoms, thus forming binary Fe-Ga regions (or phases)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Tunable Magnetic Transition to a Singlet Ground State in a 2D van der Waals Layered Trimerized Kagomé Magnet

Incorporating magnetism into two-dimensional (2D) van der Waals (vdW) heterostructures is crucial for the development of functional electronic and magnetic devices. Here, we show that Nb 3 X 8 (X = Cl, Br) is a family of 2D layered trimerized kagomé magnets that are paramagnetic at high temperatures and undergo a first-order phase transition on cooling to a singlet magnetic state. X-ray diffraction shows that a rearrangement of the vdW stacking accompanies the magnetic transition, with high- and low-temperature phases consistent with scanning transmission electron microscopy images of the end members α-Nb 3 Cl 8 and β-Nb 3 Br 8 . The temperature of this transition is systematically varied across the solid solution Nb 3 Cl 8–x Br x (x = 0–8), with x = 6 having transitions near room temperature. Furthermore, the solid solution also varies the optical properties, which are further modulated by the phase transition. As such, they provide a platform on which to understand and exploit the interplay between dimensionality, magnetism, and optoelectronic behavior in vdW materials.

2D materials↗
DOE OSTI2017

Structure, luminescence and thermal quenching properties of Eu doped Sr{sub 2−x}Ba{sub x}Si{sub 5}N{sub 8} red phosphors

Eu{sup 2+} doped Sr{sub 2-x}Ba{sub x}Si{sub 5}N{sub 8} phosphors were synthesized at 1610 ℃ for 4 h via the solid-state reaction method. The XRD results confirm that the complete solid solutions are formed. With the increase of x, the emission spectra show an obvious blue-shift from 610 nm to 585 nm under the excitation of 460 nm. The color tone can be tuned from yellow to red. The corresponding mechanism for the blue-shift of peak-wavelength is studied in detail. The results of decomposed Gaussian spectra and fluorescence lifetime show that the local coordination structure surrounding activator ions changes with increasing x value. It is found that the probability of Eu occupying Sr1 and Sr2 site is dependent on Ba/Sr ratio. The variation of thermal quenching properties and the corresponding mechanism is discussed in detail. The results indicate that Eu{sup 2+} doped Sr{sub 2-x}Ba{sub x}Si{sub 5}N{sub 8} is a promising orange red-emitting phosphor for near UV or blue light-pumped white light-emitting-diodes (wLEDs). - Graphical abstract: Eu{sup 2+} doped Sr{sub 2-x}Ba{sub x}Si{sub 5}N{sub 8} solid solutions were prepared by the solid-state reaction method. The structure, luminescence and thermal quenching properties with varying Ba/Sr ratio were investigated in detail. - Highlights: • The stucture and luminescence properties of Eu doped Sr{sub 2-x}Ba{sub x}Si{sub 5}N{sub 8} phosphors were investigated. • The samples with the intermediate compositions(x=1.0,1.5) show better stability than the end members of both Sr{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+} and Ba{sub 2}Si{sub 5}N{sub 8}:Eu{sup 2+}. • The possible mechanism for the improvement of thermal quenching properties was proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Investigation of surface potential in the V-defect region of MBE Cd{sub x}Hg{sub 1−x}Te film

Atomic-force microscopy is used to investigate the distribution of the contact-potential difference (surface potential) in Cd{sub x}Hg{sub 1−x}Te epitaxial films grown by molecular-beam epitaxy. Modification of the solid-solution composition near the V-defect results in a variation in the contact-potential difference. It is shown that the solid-solution composition varies by ∼0.05 (2.5 at %) towards increasing mercury content in the V-defect region, and a region of mercury depletion by 0.36 at % is observed at the V-defect periphery. From analysis of the surface-potential distribution, it is shown that the Cd{sub x}Hg{sub 1−x}Te epitaxial film contains unform V-defects with a diameter less than 1 μm in addition to macroscopic V-defects.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Impurity-induced photoconductivity of narrow-gap Cadmium–Mercury–Telluride structures

The photoconductivity (PC) spectra of CdHgTe (MCT) solid solutions with a Cd fraction of 17 and 19% are measured. A simple model for calculating the states of doubly charged acceptors in MCT solid solutions, which makes it possible to describe satisfactorily the observed photoconductivity spectra, is proposed. The found lines in the photoconductivity spectra of narrow-gap MCT structures are associated with transitions between the states of both charged and neutral acceptor centers.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Correlating Transport and Structural Properties in Li 1+ x Al x Ge 2– x (PO 4 ) 3 (LAGP) Prepared from Aqueous Solution

Li 1+ x Al x Ge 2– x (PO 4 ) 3 (LAGP) is a solid lithium-ion conductor belonging to the NASICON family, representing the solid solution of LiGe 2 (PO 4 ) 3 and AlPO 4 . The typical syntheses of LAGP either involve high-temperature melt-quenching, which is complicated and expensive, or a sol–gel process requiring costly organic germanium precursors. Herein, we report a simple method based on aqueous solutions without the need of ethoxide precursors. Using synchrotron and neutron diffraction, the crystal structure, the occupancies for Al and Ge, and the distribution of lithium were determined. Substitution of germanium by aluminum allows for an increased Li + incorporation in the material and the actual Li + content in the sample increases with the nominal Li + content and a solubility limit is observed for higher aluminum content. By means of impedance spectroscopy, an increase in the ionic conductivity with increasing lithium content is observed. Whereas the lithium ionic conductivity improves, due to the increasing carrier density, the bulk activation energy increases. This correlation suggests that changes in the transport mechanism and correlated motion may be at play in the Li 1+ x Al x Ge 2– x (PO 4 ) 3 solid solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗