Lutetium incorporation in magmas at depth: Changes in melt local environment and the influence on partitioning behaviour
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de Grouchy, Charlotte J. L. (ORCID:000000017497091↗
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Lutetium(III) aqua ion: On the dynamical structure of the heaviest lanthanoid hydration complex
The structure and dynamics of the lutetium(III) ion in aqueous solution have been investigated by means of a polarizable force field molecular dynamics (MD). An 8-fold square antiprism (SAP) geometry has been found to be the dominant configuration of the lutetium(III) aqua ion. Nevertheless, a low percentage of 9-fold complexes arranged in a tricapped trigonal prism (TTP) geometry has been also detected. Dynamic properties have been explored by carrying out six independent MD simulations for each of four different temperatures: 277 K, 298 K, 423 K, 632 K. The mean residence time of water molecules in the first hydration shell at room temperature has been found to increase as compared to the central elements of the lanthanoid series in agreement with previous experimental findings. Water exchange kinetic rate constants at each temperature and activation parameters of the process have been determined from the MD simulations. The obtained structural and dynamical results suggest that the water exchange process for the lutetium(III) aqua ion proceeds with an associative mechanism, in which the SAP hydration complex undergoes temporary structural changes passing through a 9-fold TTP intermediate. Such results are consistent with the water exchange mechanism proposed for heavy lanthanoid atoms.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Energetics of bulk lutetium‐doped Ce 1−x Lu x O 2−x/2 compounds
Abstract The dissolution enthalpy , Δ H DS , and the formation enthalpy, Δ H f,ox , of bulk lutetium‐doped cerium oxide (LuDC) were studied at 701°C in molten sodium molybdate. For the composition range of Ce 1− X Lu X O 2− X /2 , studied 0 ≤ X ≤ 0.3, the Δ H DS decreases linearly and smoothly with lutetium content according to Δ H DS , kJ/mol = 73.5(1.0)−165.1(5.5)· x ). The enthalpy of formation, Δ H f,ox , becomes more exothermic linearly with lutetium content. No anomaly in Δ H f,ox is observed at low Lu 2 O 3 concentration as reported previously for several other rare‐earth‐doped ceria systems, suggesting possible differences in clustering and microstructure, which may also be related to difference in processing conditions.
Yavo, Nimrod↗
Fabrication and microstructure of cerium doped lutetium aluminum garnet (Ce:LuAG) transparent ceramics by solid-state reaction method
Highlights: • We fabricate Ce doped lutetium aluminum garnet ceramics by solid-state method. • The raw materials include Lu{sub 2}O{sub 3} nanopowders synthesized by co-precipitation method. • The density of the transparent ceramics reach 99.7% of the theoretical value. • The optical transmittance of the bulk ceramic at 550 nm was 57.48%. • Some scattering centers decrease the optical characteristic of the ceramic. - Abstract: Polycrystalline Ce{sup 3+} doped lutetium aluminum garnet (Ce:LuAG) transparent ceramics fabricated by one step solid-state reaction method using synthetic nano-sized Lu{sub 2}O{sub 3}, commercial α-Al{sub 2}O{sub 3} and CeO{sub 2} powders were investigated in this paper. The green compacts shaped by the mixed powders were successfully densified into Ce:LuAG transparent ceramics after vacuum sintering at 1750 °C for 10 h. The in-line optical transmittance of the Ce:LuAG ceramic made by home-made Lu{sub 2}O{sub 3} powders could reach 57.48% at 550 nm, which was higher than that of the ceramic made by commercial Lu{sub 2}O{sub 3} powders (22.96%). The microstructure observation showed that light scattering centers caused by micro-pores, aluminum segregation and refraction index inhomogeneities induced the decrease of optical transparency of the Ce:LuAG ceramics, which should be removed and optimized in the future work.
36 MATERIALS SCIENCE↗
Lutetium-doped EuO films grown by molecular-beam epitaxy
The effect of lutetium doping on the structural, electronic, and magnetic properties of epitaxial EuO thin films grown by reactive molecular-beam epitaxy is experimentally investigated. The behavior of Lu-doped EuO is contrasted with doping by lanthanum and gadolinium. All three dopants are found to behave similarly despite differences in electronic configuration and ionic size. Andreev reflection measurements on Lu-doped EuO reveal a spin-polarization of 96% in the conduction band, despite non-magnetic carriers introduced by 5% lutetium doping.
36 MATERIALS SCIENCE↗
On the photoelectron velocity-map imaging of lutetium monoxide anion LuO{sup −}
We report a combined photoelectron velocity-map imaging spectroscopy and density functional theory investigation on lutetium monoxide anion. Transition between the X {sup 1}Σ{sup +} anion electronic ground state and the neutral X {sup 2}Σ{sup +} electronic ground state is observed. Vibrationally resolved spectra were obtained at four different photon energies, providing a wealth of spectroscopic information for the electronic ground states of the anionic lutetium monoxide and corresponding neutral species. Franck-Condon simulations of the ground-state transition are performed to assign vibrational structure in the spectra and to assist in identifying the observed spectral bands. The electronic ground state of LuO{sup −} is found to have a vibrational frequency of 743 ± 10 cm{sup −1} and an equilibrium bond length of 1.841 Å. The electron affinity of LuO is measured to be 1.624 ± 0.002 eV. The fundamental frequency of ground-state LuO is estimated to be 839 ± 10 cm{sup −1}.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Atomic and electronic structures of lutetium oxide Lu{sub 2}O{sub 3}
The chemical composition, electronic structure, structure, and physical properties a lutetium oxide Lu{sub 2}O{sub 3} film are studied by X-ray photoelectron spectroscopy, ellipsometry, and X-ray absorption spectroscopy. The short-range order in Lu{sub 2}O{sub 3} is found to correspond to its cubic modification. The binding energies of the 1s and 2p levels of oxygen and the 4d{sub 5/2} and 4f{sub 7/2} levels of lutetium are 529.2, 5.0 and 7.4, 195.9 eV, respectively. The energy gap determined from the electron energy loss spectrum of the film is 5.9 eV. The electron energy loss spectra have two peaks at 17.4 and 22.0 eV, which can be attributed to the excitation of bulk plasma oscillations. The dispersion of the refractive index is measured by spectral ellipsometry. The refractive index is shown to increase from 1.82 at 1.5 eV to 2.18 at 5.0 eV, and the high-frequency permittivity of Lu{sub 2}O{sub 3} is 3.31.
74 ATOMIC AND MOLECULAR PHYSICS↗
Piano-stool lutetium amido and imido compounds supported by a constrained bis(oxazoline)cyclopentadienyl ligand
{Bo M Cp tet }Lu(CH 2 Ph) 2 ( 1 ; Bo M Cp tet = MeC(Ox Me2 2 C 5 Me 4 ; Ox Me2 = 4,4-dimethyl-2-oxazoline) was prepared in 95% yield from the reaction of Bo M Cp tet H and Lu(CH 2 Ph) 3 THF 3 . Compound 1 reacts with 1 or 2 equiv of H 2 NCH 2 R (R = C 6 H 5 , 1-C 10 H 7 ) to give the corresponding imido complexes [{Bo M Cp tet }LuNCH 2 R] 2 (R = C 6 H 5 ( 2a ), 1-C 10 H 7 ( 2b )) or amido complexes {Bo M Cp tet }Lu(NHCH 2 R) 2 (R = C 6 H 5 ( 3a ), 1-C 10 H 7 ( 3b )). When isolated, the imido species are insoluble in nonprotic organic solvents. Crystallographic characterization reveals dimeric [{Bo M Cp tet }LuNCH 2 (1-C 10 H 7 )] 2 in the solid state. The reaction of 1 and NH3B(C6F5)3 affords crystallographically characterized {Bo M Cp tet }Lu{NHB(C 6 F 5 ) 2 }C 6 F 5 . This species is proposed to form via a transient lutetium imido, which undergoes C6F5 migration to the lutetium center.
59 BASIC BIOLOGICAL SCIENCES↗
Thermodynamic properties and enhancement of diamagnetism in nitrogen doped lutetium hydride synthesized at high pressure
Nitrogen doped lutetium hydride has drawn global attention in the pursuit of room-temperature superconductivity near ambient pressure and temperature. However, variable synthesis techniques and uncertainty surrounding nitrogen concentration have contributed to extensive debate within the scientific community about this material and its properties. We used a solid-state approach to synthesize nitrogen doped lutetium hydride at high pressure and temperature (HPT) and analyzed the residual starting materials to determine its nitrogen content. High temperature oxide melt solution calorimetry determined the formation enthalpy of LuH 1.96 N 0.02 (LHN) from LuH 2 and LuN to be −28.4 ± 11.4 kJ/mol. Magnetic measurements indicated diamagnetism which increased with nitrogen content. Ambient pressure conductivity measurements observed metallic behavior from 5 to 350 K, and the constant and parabolic magnetoresistance changed with increasing temperature. High pressure conductivity measurements revealed that LHN does not exhibit superconductivity up to 26.6 GPa. We compressed LHN in a diamond anvil cell to 13.7 GPa and measured the Raman signal at each step, with no evidence of any phase transition. Despite the absence of superconductivity, a color change from blue to purple to red was observed with increasing pressure. Thus, our findings confirm the thermodynamic stability of LHN, do not support superconductivity, and provide insights into the origins of its diamagnetism.
Science & Technology - Other Topics↗
Lutetium oxide-based transparent ceramic scintillators
In one embodiment, a transparent ceramic of sintered nanoparticles includes gadolinium lutetium oxide doped with europium having a chemical composition (Lu.sub.1-xGd.sub.x).sub.2-YEu.sub.YO.sub.3, where X is any value within a range from about 0.05 to about 0.45 and Y is any value within a range from about 0.01 to about 0.2, and where the transparent ceramic exhibits a transparency characterized by a scatter coefficient of less than about 10%/cm. In another embodiment, a transparent ceramic scintillator of sintered nanoparticles, includes a body of sintered nanoparticles including gadolinium lutetium oxide doped with a rare earth activator (RE) having a chemical composition (Lu.sub.1-xGd.sub.x).sub.2-YRE.sub.YO.sub.3, where RE is selected from the group consisting of: Sm, Eu, Tb, and Dy, where the transparent ceramic exhibits a transparency characterized by a scatter coefficient of less than about 10%/cm.
36 MATERIALS SCIENCE↗
Hydrothermal synthesis of lutetium disilicate nanoparticles
A simple, low-cost hydrothermal method was developed to synthesize irregular-and rod-shaped lutetium disilicate (Lu{sub 2}Si{sub 2}O{sub 7}) powders with sizes ranging from 71 to 340 nm. The synthesis temperature was 260 Degree-Sign C, which is nearly 1300 Degree-Sign C lower than that required for the solid-state reaction. The results indicated that both the hydrothermal temperature and pH values had great influences on the composition, crystalline phase and morphology of the powders. The formation mechanism, basic thermophysical properties, stability and anticorrosion properties of the Lu{sub 2}Si{sub 2}O{sub 7} powders were also investigated. The obtained powders possessed low thermal conductivity, a suitable thermal expansion coefficient (3.92-5.17 Multiplication-Sign 10{sup -6} K{sup -1}) with the silicon-based substrate and excellent thermal and structural stability. During hot corrosion testing, the surfaces of the samples appeared to react with the water and molten salt vapors, but no serious failure occurred. - Graphical abstract: An image for the as-prepared Lu{sub 2}Si{sub 2}O{sub 7} powders (left) and XRD pattern (right) (inset shows the SEM graph of powders). Highlights: Black-Right-Pointing-Pointer We synthesized Lu{sub 2}Si{sub 2}O{sub 7} powders via a hydrothermal process at 260 Degree-Sign C. Black-Right-Pointing-Pointer Crystalline phase and morphology of the powders changed with experimental parameter. Black-Right-Pointing-Pointer Hot corrosion was determined in an airflow environment containing alkaline vapor.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Selective photoionisation of lutetium isotopes
A three-stage laser photoionisation scheme intended for enriching the {sup 176}Lu isotope from natural lutetium was considered. An investigation was made of the hyperfine structure of the second excited state 5d6s7s {yields} {sup 4}D{sub 3/2} with an energy of 37194 cm{sup -1} and the autoionisation state with an energy of 53375 cm{sup -1} of the {sup 176}Lu and {sup 175}Lu isotopes. The total electron momentum of the autoionisation level and the constant A of hyperfine magnetic interaction were determined. Due to a small value of the isotopic shift between {sup 176}Lu and {sup 175}Lu, appreciable selectivity of their separation may be achieved with individual hyperfine structure components. The first tentative enrichment of the 176Lu isotope was performed to a concentration of 60 % - 70 %. (laser applications and other topics in quantum electronics)
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Discovery of gallium, germanium, lutetium, and hafnium isotopes
Currently, twenty-eight gallium, thirty-one germanium, thirty-five lutetium, and thirty-six hafnium isotopes have been observed and the discovery of these isotopes is described here. For each isotope a brief synopsis of the first refereed publication, including the production and identification method, is presented.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Physical properties of zircon and scheelite lutetium orthovanadate: Experiment and first-principles calculation
Pure zircon and scheelite LuVO{sub 4} were prepared by solid state reaction and high-pressure route, respectively. Structure, elastic constants, lattice dynamics and thermodynamics of LuVO{sub 4} polymorphs were studied by experiments and first principles calculation. Calculations here are in good agreement with the experimental results. The phonon dispersions of LuVO{sub 4} polymorphs were studied by the linear response method. The calculated phonon dispersions show that zircon and scheelite LuVO{sub 4} phases are dynamically stable. Raman-active frequencies were measured and assigned to different modes according to the calculations. The internal frequencies shift downward after phase transition from zircon to scheelite. Born effective charge tensors elements for both phases are analyzed. The finite temperature thermodynamic properties of LuVO{sub 4} polymorphs were calculated from the obtained phonon density of states by quasi-harmonic approach. - Graphical abstract: Lutetium orthovanadate polymorphs were synthesized by SSR and HP methods and their physical and chemical properties, including lattice dynamical properties, were determined by DFT calculations and experiments. Display Omitted - Highlights: • Pure zircon and scheelite LuVO{sub 4} polymorphs were synthesized by solid state reaction and high-pressure route. • Chemical and physical properties of LuVO4 polymorphs were studied by experiments and first principles calculation. • Raman-active frequencies were measured and assigned to different modes according to the calculations. • Lattice dynamics of polymorphs were discussed in details.
36 MATERIALS SCIENCE↗
Electron microscopy studies of lutetium doped erbium silicide (Er{sub 0.9}Lu{sub 0.1}){sub 5}Si{sub 4}
Examination of bulk microstructures of lutetium doped erbium silicide (Er{sub 0.9}Lu{sub 0.1}){sub 5}Si{sub 4} (space group: Pnma) using scanning and transmission electron microscopy (SEM, TEM) reveals the existence of thin plates of a hexagonal phase (space group: P6{sub 3}/mcm) where the stoichiometric ratio in moles between the rare earths and Si is 5 to 3, i. e the 5:3 phase. The orientation relationship between the matrix and the plates was determined as [010]{sub m} {approx} -parallel [-1010]{sub p.} This observation adds credence to the assumption that all linear features noted in alloys of the rare-earth intermetallic family R{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} are of the stoichiometric ratio 5:3 and possess a common orientation relationship with the parent 5:4 alloys. - Highlights: {yields} The linear features observed in the (Er{sub 0.9}Lu{sub 0.1}){sub 5}Si{sub 4} sample are hexagonal 5:3 plates. {yields} Thickness of 5:3 plates in 5:4 alloys made by tri-arc pulling is greater than made by arc-melting. {yields} The orientation relationship between 5:3 plates and the matrix is [010]{sub m} {approx} ||[-1010]{sub p}.
36 MATERIALS SCIENCE↗
Photoemission spectroscopy study of the lanthanum lutetium oxide/silicon interface
Rare earth oxides are promising candidates for future integration into nano-electronics. A key property of these oxides is their ability to form silicates in order to replace the interfacial layer in Si-based complementary metal-oxide field effect transistors. In this work a detailed study of lanthanum lutetium oxide based gate stacks is presented. Special attention is given to the silicate formation at temperatures typical for CMOS processing. The experimental analysis is based on hard x-ray photoemission spectroscopy complemented by standard laboratory experiments as Rutherford backscattering spectrometry and high-resolution transmission electron microscopy. Homogenously distributed La silicate and Lu silicate at the Si interface are proven to form already during gate oxide deposition. During the thermal treatment Si atoms diffuse through the oxide layer towards the TiN metal gate. This mechanism is identified to be promoted via Lu-O bonds, whereby the diffusion of La was found to be less important.
36 MATERIALS SCIENCE↗
Raman scattering in organic semiconductors based on erbium biphthalocyanine molecules and chlorine-containing europium-lutetium triphthalocyanine molecules
The Raman spectra of semiconductor structures based on erbium biphthalocyanine molecules and chlorine-substituted europium-lutetium triphthalocyanine molecules are studied on excitation with Ar{sup +} laser radiation at the wavelength 514 nm. The data on the spectral position of Raman intensity peaks related to vibronic states of the basic molecular groups forming the semiconductor are obtained. Raman lines irrelevant to the known vibronic states of the basic phthalocyanine molecular groups are observed in the ranges 100-500 and 500-900 cm{sup -1}. It is shown that, in the spectra of triphthalocyanine, some lines are structurally complex and shifted with respect to the characteristic lines of molecular groups by several inverse centimeters.
36 MATERIALS SCIENCE↗
Features of the spectral dependences of transmittance of organic semiconductors based on tert-butyl substituted lutetium phthalocyanine molecules
Vibronic properties of organic semiconductors based on tert-butyl substituted phthalocyanine lutetium diphthalocyanine molecules are studied by IR and Raman spectroscopy. It is shown that substitution of several carbon atoms in initial phthalocyanine (Pc) ligands with {sup 13}C isotope atoms causes a spectral shift in the main absorption lines attributed to benzene, isoindol, and peripheral C-H groups. A comparison of spectral characteristics showed that the shift can vary from 3 to 1 cm{sup -1}.
36 MATERIALS SCIENCE↗