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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Doping topological Dirac semimetal with magnetic impurities: Electronic structure of Mn-doped Cd 3 ⁢As 2

The prospect of transforming a Dirac topological semimetal (TSM) into a Weyl TSM phase, following doping by magnetic impurities, is central to TSM applications. The magnetic field from polarized 𝑑 levels of magnetic impurities produces a field with a sharp local structure. To what extent magnetic impurities act in the same manner as an applied field and what are the effects of such a field on the electronic structure of a Dirac TSM are the subject of this paper. We present electronic structure calculations of bulk Cd 3 ⁢As 2 with substitutional doping of Mn impurities in the dilute alloy range. Quasiparticle 𝐺⁡𝑊 (QS⁢𝐺⁡𝑊) ab initio electronic structure calculations are used in conjunction with 𝑘 · 𝑝 model Hamiltonian calculations. As expected, we observe the splitting of the Dirac points into pairs of Weyl points following the doping with Mn. We also show that the electronic structure of Mn-doped Cd 3⁢ As 2 can be emulated by the electronic structure of pristine Cd 3⁢ As 2 with an appropriate external magnetic field. Some properties of the conductivity of bulk Cd 3 ⁢As 2 for different magnetic field orientations are also investigated. Our results inform future opportunities for unique device functionality based on band structure tuning not found in conventional magnetic Weyl TSM.

36 MATERIALS SCIENCE↗
NASA NTRS2009

Validation of Improved Broadband Shortwave and Longwave Fluxes Derived From GOES

Broadband (BB) shortwave (SW) and longwave (LW) fluxes at TOA (Top of Atmosphere) are crucial parameters in the study of climate and can be monitored over large portions of the Earth's surface using satellites. The VISST (Visible Infrared Solar Split-Window Technique) satellite retrieval algorithm facilitates derivation of these parameters from the Geostationery Operational Environmental Satellites (GOES). However, only narrowband (NB) fluxes are available from GOES, so this derivation requires use of narrowband-to-broadband (NB-BB) conversion coefficients. The accuracy of these coefficients affects the validity of the derived broadband (BB) fluxes. Most recently, NB-BB fits were re-derived using the NB fluxes from VISST/GOES data with BB fluxes observed by the CERES (Clouds and the Earth's Radiant Energy Budget) instrument aboard Terra, a sun-synchronous polar-orbiting satellite that crosses the equator at 10:30 LT. Subsequent comparison with ARM's (Atmospheric Radiation Measurement) BBHRP (Broadband Heating Rate Profile) BB fluxes revealed that while the derived broadband fluxes agreed well with CERES near the Terra overpass times, the accuracy of both LW and SW fluxes decreased farther away from the overpass times. Terra's orbit hampers the ability of the NB-BB fits to capture diurnal variability. To account for this in the LW, seasonal NB-BB fits are derived separately for day and night. Information from hourly SW BB fluxes from the Meteosat-8 Geostationary Earth Radiation Budget (GERB) is employed to include samples over the complete solar zenith angle (SZA) range sampled by Terra. The BB fluxes derived from these improved NB-BB fits are compared to BB fluxes computed with a radiative transfer model.

Khaiyer, Mandana M.↗
NASA NTRS1981

Optical gyroscope system

Light beams pass in opposite directions through a single mode fiber optic wave guide that extends in a circle or coil in an optical gyroscope system which measures the rotation rate of the coil by measuring the relative phase shifts of the beams by interferometric techniques. Beam splitting and phase shifting of the light are facilitated by utilizing brief pulses of light and by using light-controlling devices which are operated for a brief time only when the light pulse passes in one direction through the device but not at a different time when the pulse is passing in the opposite direction through the device. High accuracy in rotation measurement is achieved at both very slow and very fast rotation rates, by alternately operating the system so that at zero rotation the interfering waves are alternately 90 out of phase and in phase. Linear polarization of the light beams is maintained by coiling the full length of the optic fiber in a single plane.

Goss, W. C.↗
DOE OSTI2020

Emergence of Topologically Nontrivial Spin-Polarized States in a Segmented Linear Chain

The synthesis of new materials with novel or useful properties is one of the most important drivers in the fields of condensed matter physics and materials science. Discoveries of this kind are especially significant when they point to promising future basic research and applications. Van der Waals bonded materials comprised of lower-dimensional building blocks have been shown to exhibit emergent properties when isolated in an atomically thin form. Here, we report the discovery of a transition metal chalcogenide in a heretofore unknown segmented linear chain form, where basic building blocks each consisting of two hafnium atoms and nine tellurium atoms (Hf 2 Te 9 ) are van der Waals bonded end-to-end. First-principle calculations based on density functional theory reveal striking crystal-symmetry-related features in the electronic structure of the segmented chain, including giant spin splitting and nontrivial topological phases of selected energy band states. In this work, atomic-resolution scanning transmission electron microscopy reveals single segmented Hf 2 Te 9 chains isolated within the hollow cores of carbon nanotubes, with a structure consistent with theoretical predictions. Van der Waals-bonded segmented linear chain transition metal chalcogenide materials could open up new opportunities in low-dimensional, gate-tunable, magnetic and topological crystalline systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

EuAuSb: An odd-parity helical variation of altermagnetism

EuAuSb is a triangular-lattice Dirac semimetal in which a topological Hall effect has been observed to develop in association with a magnetically ordered phase. Our single-crystal neutron diffraction measurements have identified an incommensurate helical order in which individual ferromagnetic Eu 2+ layers rotate in-plane by ∼ 120° from one layer to the next. An in-plane magnetic field distorts the incommensurate order, eventually leading to a first order transition to a state that is approximately commensurate and that is continuously polarized as the bulk magnetization approaches saturation. From an analysis of the magnetic diffraction intensities versus field, we find evidence for a dip in the ordered in-plane moment at the same field where the topological Hall effect is a maximum, and we propose that this is due to field-induced quantum spin fluctuations. Our electronic structure calculations yield exchange constants compatible with the helical order and show that the bands near the Fermi level lose their spin degeneracy via a mechanism similar to that in the collinear altermagnets. In conclusion, we find that, unlike the even symmetry seen in the altermagnets, the spin splitting in EuAuSb has odd-wave symmetry similar to that recently found in a number of coplanar magnetic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electronic origin of half-metal to semiconductor transition and colossal magnetoresistance in spinel HgCr 2 Se 4

Half metals are ferromagnets hosting spin-polarized conducting carriers and are crucial for spintronics applications. The chromium spinel HgCr 2 Se 4 represents a unique type of half-metal, which features a half-metal to semiconductor transition (HMST) and exhibits colossal magnetoresistance (CMR) across the ferromagnetic-paramagnetic (FM-PM) transition. Here, using angle-resolved photoemission spectroscopy, we find that the Fermi surface of n-type HgCr 2 Se 4 (n–HgCr 2 Se 4 ) consists of a single electron pocket which moves above the Fermi level (E F ) upon the FM-PM transition, leading to the HMST. Such a Lifshitz transition manifests a giant band splitting which originates from the exchange interaction unveiled with a specific chemical nonstoichiometry. The exchange band splitting and the chemical nonstoichiometry are two key ingredients to the HMST and CMR, consistent with our ab initio calculation. Our findings provide spectroscopic evidence of the electronic origin of the anomalous properties of HgCr 2 Se 4 , which address the unique phase transition in half-metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1987

Optimized retrievals of precipitable water from the VAS 'split window'

Precipitable water fields have been retrieved from the VISSR Atmospheric Sounder (VAS) using a radiation transfer model for the differential water vapor absorption between the 11- and 12-micron 'split window' channels. Previous moisture retrievals using only the split window channels provided very good space-time continuity but poor absolute accuracy. This note describes how retrieval errors can be significantly reduced from plus or minus 0.9 to plus or minus 0.6 gm/sq cm by empirically optimizing the effective air temperature and absorption coefficients used in the two-channel model. The differential absorption between the VAS 11- and 12-micron channels, empirically estimated from 135 colocated VAS-RAOB observations, is found to be approximately 50 percent smaller than the theoretical estimates. Similar discrepancies have been noted previously between theoretical and empirical absorption coefficients applied to the retrieval of sea surface temperatures using radiances observed by VAS and polar-orbiting satellites. These discrepancies indicate that radiation transfer models for the 11-micron window appear to be less accurate than the satellite observations.

Chesters, Dennis↗
DOE OSTI2020

Raman scattering from one and two magnons in magnetoelectric LiNiPO 4

Polarized Raman scattering in magnetoelectric LiNiPO 4 shows a sharp resonant peak at 37 cm -1 in the magnetically ordered phase, originating from a one-magnon excitation of Ni 2+ S = 1 localized moments at the zone center. Also, a broad component with maximum intensity at ~ 65 cm -1 is observed and successfully modeled in terms of light scattering from two-magnon excitations within the framework of the Fleury-Loudon theory using five relevant exchange parameters, providing an independent experimental confirmation of their values previously obtained with inelastic neutron scattering data in this material. An additional peak at 58 cm -1 , already reported in previous works, shows no detectable Zeeman splitting for magnetic fields up to 6 T along the crystallographic a and c directions, excluding one-magnon scattering as a possible assignment for this peak. The possible nature of this excitation is discussed.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Rotation and precession of cometary nuclei

The given review is concerned with a recent breakthrough in the investigation of polar-axis orientations and spin rates, and with the implications for the surface structure of cometary nuclei. The rotation data for twelve comets are summarized in a table. The progress achieved in the past few years has demonstrated that seemingly complex relations among observed physical and dynamical properties of comets can consistently be interpreted in terms of Whipple's (1950, 1951) model of a rotating icy-conglomerate nucleus. The nucleus, probably a few kilometers in diameter for an average comet, is believed to lose mass more or less continuously. Attention is given to the outgassing asymmetry, a formulation of the geometry of the directed ejection, and the role of rotation in cometary outbursts and splitting.

Sekanina, Z.↗
NASA NTRS2007

MCM Polarimetric Radiometers for Planar Arrays

A polarimetric radiometer that operates at a frequency of 40 GHz has been designed and built as a prototype of multiple identical units that could be arranged in a planar array for scientific measurements. Such an array is planned for use in studying the cosmic microwave background (CMB). All of the subsystems and components of this polarimetric radiometer are integrated into a single multi-chip module (MCM) of substantially planar geometry. In comparison with traditional designs of polarimetric radiometers, the MCM design is expected to greatly reduce the cost per unit in an array of many such units. The design of the unit is dictated partly by a requirement, in the planned CMB application, to measure the Stokes parameters I, Q, and U of the CMB radiation with high sensitivity. (A complete definition of the Stokes parameters would exceed the scope of this article. In necessarily oversimplified terms, I is a measure of total intensity of radiation, while Q and U are measures of the relationships between the horizontally and vertically polarized components of radiation.) Because the sensitivity of a single polarimeter cannot be increased significantly, the only way to satisfy the high-sensitivity requirement is to make a large array of polarimeters that operate in parallel. The MCM includes contact pins that can be plugged into receptacles on a standard printed-circuit board (PCB). All of the required microwave functionality is implemented within the MCM; any required supporting non-microwave ("back-end") electronic functionality, including the provision of DC bias and control signals, can be implemented by standard PCB techniques. On the way from a microwave antenna to the MCM, the incoming microwave signal passes through an orthomode transducer (OMT), which splits the radiation into an h + i(nu) beam and an h - i(nu) beam (where, using complex-number notation, h denotes the horizontal component, nu denotes the vertical component, and +/-i denotes a +/-90deg phase shift). Each of these beams enters the MCM through one of two WR-22 waveguide input terminals in the lid of the MCM. The h + i(nu0 and h - i(nu) signals are amplified, then fed to a phase-discriminator hybrid designed specifically to fit the predominantly planar character of the MCM geometry and to enable determination of Q and U. The phase-discriminator hybrid generates four outputs, which are detected and used to calculate I, Q, and U.

Kangaslahti, Pekka↗
DOE OSTI2022

The Atlantic Jet Response to Stratospheric Events: A Regime Perspective

The tropospheric response to Sudden Stratospheric Warmings (SSWs) is associated with an equatorward shift in the midlatitude jet and associated storm tracks, while Strong Polar Vortex (SPV) events elicit a contrasting response. Recent analyses of the North Atlantic jet using probability density functions of a jet latitude index have identified three preferred jet latitudes, raising the question of whether the tropospheric response to SSWs and SPVs results from a change in relative frequencies of these preferred jet regimes rather than a systematic jet shift. We explore this question using atmospheric reanalysis data from 1979 to 2018 (26 SSWs and 33 SPVs), and a 202-years integration of the Whole Atmosphere Community Climate Model (92 SSWs and 68 SPVs). Following SSWs, the northern jet regime becomes less common and the central and southern regimes become more common. These changes occur almost immediately following “split” vortex events, but are more delayed following “displacement” events. In contrast, the northern regime becomes more frequent and the southern regime less frequent following SPV events. Following SSWs, composites of 500-hPa geopotential heights, surface air temperatures, and precipitation most closely resemble composites of the southern jet regime, and are generally opposite in sign to the composites of the northern jet regime. These comparisons are reversed following SPVs. Thus, one possible interpretation is that the two southernmost regimes appear to be favored following SSWs, while the southernmost regime becomes less common following SPVs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Measurements of the temperature and $E$-mode polarization of the cosmic microwave background from the full 500-square-degree SPTpol dataset

Using the full four-year SPTpol 500 deg 2 dataset in both the 95 and 150 GHz frequency bands, we present measurements of the temperature and E-mode polarization of the cosmic microwave background (CMB), as well as the E-mode polarization autopower spectrum (EE) and temperature-E-mode cross-power spectrum (TE) in the angular multipole range 50 < ℓ < 8000. We find the SPTpol dataset to be self-consistent, passing several internal consistency tests based on maps, frequency bands, bandpowers, and cosmological parameters. The full SPTpol dataset is well-fit by the ΛCDM model, for which we find H 0 = 70.48 ± 2.16 km s -1 Mpc -1 and Ω m = 0.271 ± 0.026, when using only the SPTpol data and a Planck-based prior on the optical depth to reionization. The ΛCDM parameter constraints are consistent across the 95 GHz-only, 150 GHz-only, TE-only, and EE-only data splits. Between the ℓ < 1000 and ℓ > 1000 data splits, the ΛCDM parameter constraints are borderline consistent at the ∼2σ level. This consistency improves when including a parameter A L , the degree of lensing of the CMB inferred from the smearing of acoustic peaks. When marginalized over A L , the ΛCDM parameter constraints from SPTpol are consistent with those from Planck. In conclusion, the power spectra presented here are the most sensitive measurements of the lensed CMB damping tail to date for roughly ℓ > 1700 in TE and ℓ > 2000 in EE.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2010

Solar Polar Spicules Observed with Hinode

We examine solar polar region spicules using high-cadence Ca II data from the Solar Optical Telescope (SOT) on the Hinode spacecraft. We sharpened the images by convolving them with the inverse-point-spread function of the SOT Ca II filter, and we are able to see some of the spicules originating on the disk just inside the limb. Bright points are frequently at the root of the disk spicules. These "Ca II brightenings" scuttle around at approx.few x 10 km/s, live for approx.100 sec, and may be what are variously known as "H_{2V} grains," "K_{2V} grains," or "K_{2V} bright points." When viewed extending over the limb, some of the spicules appear to expand horizontally or split into two or more components, with the horizontal expansion or splitting velocities reaching approx.50 km/s. This work was funded by NASA's Science Mission Directorate through the Living With a Star Targeted Research and Technology Program, the Supporting Research and Program, the Heliospheric Guest Investigator Program, and the Hinode project.

Sterling, Alphonse C.↗
DOE OSTI2021

Creation of an unexpected plane of enhanced covalency in cerium(III) and berkelium(III) terpyridyl complexes

Abstract Controlling the properties of heavy element complexes, such as those containing berkelium, is challenging because relativistic effects, spin-orbit and ligand-field splitting, and complex metal-ligand bonding, all dictate the final electronic states of the molecules. While the first two of these are currently beyond experimental control, covalent M‒L interactions could theoretically be boosted through the employment of chelators with large polarizabilities that substantially shift the electron density in the molecules. This theory is tested by ligating Bk III with 4’-(4-nitrophenyl)-2,2’:6’,2”-terpyridine (terpy*), a ligand with a large dipole. The resultant complex, Bk(terpy*)(NO 3 ) 3 (H 2 O)·THF, is benchmarked with its closest electrochemical analog, Ce(terpy*)(NO 3 ) 3 (H 2 O)·THF. Here, we show that enhanced Bk‒N interactions with terpy* are observed as predicted. Unexpectedly, induced polarization by terpy* also creates a plane in the molecules wherein the M‒L bonds trans to terpy* are shorter than anticipated. Moreover, these molecules are highly anisotropic and rhombic EPR spectra for the Ce III complex are reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Case Study for Lunar ISRU Systems Utilizing Polar Water

In-Situ Resource Utilization (ISRU) is key to long term presence at any extraterrestrial destination. Current NASA direction is to achieve a sustainable presence on the lunar surface by 2028. Mission plans currently target the lunar South Pole to leverage the extended periods of solar illumination and allows for potential access to water ice in the permanently shadowed areas around the poles. With water, it is possible to produce both fuel and oxidizer to fully refuel a vehicle. In order to address ISRU infusion into mission planning, a study of an end-to-end ISRU propellant production system was initiated to assess ISRU architectures and obtain mass and power estimates for each. The results of these case studies will be presented. For this study, The ISRU system architecture involved two sites; the mine site in a shadowed crater where water ice is excavated and extracted from the regolith and the propellant production site at an illuminated ridge where the water is processed into liquefied O2 and H2 propellants. Fixed hardware would be emplaced at each site, with two alternating water tankers to transport water between them. Notional lunar sites were identified for this architecture for baseline environmental parameters. Technology solutions for each subsystem were selected based on those with the highest fidelity models or those that have empirical laboratory data to anchor to. While power needs were identified for each location, a power solution was not prescribed, therefore the masses presented do not include surface power systems. The baseline case in this study assumed that 10 mT of oxygen, along with enough hydrogen to support a propulsion mixture ratio of 6, must be produced in 225 days. Therefore 15 mT of water would need to be collected and processed. The baseline solution resulted in a system mass of5 mT and a total required power of 68kW. The majority of the mass was split between the ridge site system and the two water tankers (2.6 mTand 1.8mTrespectively). The majority of the required power was with three subsystems at approximately 20 kW each: hydrogen liquefaction, electrolysis, and the water extractor subsystem. Trades for four key variables are also presented, namely production rate, water concentration, dry overburden depth, and number of water transport trips. This can be compared to a system that targets oxygen from the minerals in the surface regolith material. A carbothermal reduction reactor system was used for this comparison. The use of direct solar thermal energy to process the regolith and the ease of access of the resource resulted in significantly lower values for the oxygen case: approximately 2.7 mT and 11.8 kW. However, the mass trade would favor the water case over successive missions where the hydrogen up-mass of 2 mT per mission will accrue against the oxygen system.1Aerospace Research Engineer, Chemical and Thermal Propulsion Systems Branch, Senior Member.2Mechanical Engineer, Propulsion and Power Division/Energy Conversion Systems, 2101 Nasa Pkwy/Mailcode EP3 Houston, TX 77058, AIAA member.

Lunar↗
DOE OSTI2022

Generating Bright Emissive States by Modulating the Bandgap of Monolayer Tungsten Diselenide

Transition metal dichalcogenides (TMDs) are essential due to their fascinating electronic and optical properties, strong exciton binding energy, and layer-dependent bandgap. They can be tuned to function as a single-photon emitter, but the quantum yield of photoluminescence of single-layer WSe 2 is low. There is some evidence that a bright emissive state can be produced by introducing local defects through functionalization. In this paper we use spin-polarized periodic density functional theory (DFT) to study the effect of functionalization for the specific case of cyclic carbenes. We find that the simplest of these molecules, cyclopentadiene carbene (Cyc), binds to the surface by a covalent bond leading to a substantial change in the bandgap (1.24 eV compared to 1.64 eV for the pristine surface). Moreover, there are semiflat bands below the Fermi level that originate from σ bonding and the interaction between the lone-pair p orbitals on the carbon of Cyc that bonds with Se on the TMD. Cyc is found to form a Type IIa heterojunction before and after contact with the surface, where the “a” refers to ordering of the energy levels where the TMD levels have the larger splitting and “b” to the reverse. The effect of various electron-withdrawing and electron-donating groups on Cyc is investigated, and it is found that the direct bandgap and heterointerfaces can be chemically tuned with covalently bound functional groups. With an electron-withdrawing group (EWG) such as –CHO, –COCl, and –CN attached to Cyc, a Type III//Type IIa interface is formed, whereas all other EWGs used in this study form a Type IIa junction, before and after contact to the surface. The electron-donating groups (EDG) form Type Ib//Type Ia junctions, and in particular, we find that the system WSe 2 + Cyc-Me band structure consists of semiflat bands at valence band maxima localized on Cyc-Me and the conduction band minimum is coupled between the surface and functional group with a direct bandgap of 0.88 eV. Hence, we predict that the Cyc-Me-functionalized monolayer WSe 2 will produce a red-shifted bright emissive state. Furthermore, we also find that carbenes with the Cyc all-carbon ring have (1) a triplet ground state and (2) form covalent bonds to WSe 2 , while heterocyclic carbenes (1) have a singlet ground state and (2) do not form covalent bonds to WSe 2 .

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

Atomistic insight into the ferroelastic post-stishovite transition by high-pressure single-crystal X-ray diffraction

Abstract The post-stishovite transition is a classic pseudo-proper typed ferroelastic transition with a symmetry-breaking spontaneous strain. This transition has been studied using high-pressure spontaneous strains, optic modes, and elastic moduli (Cij) based on the Landau modeling, but its atomistic information and structural distortion remain poorly understood. Here we have conducted synchrotron single-crystal X-ray diffraction measurements on stishovite crystals up to 75.3 GPa in a diamond-anvil cell. Analysis of the data reveals atomic positions, bond lengths, bond angles, and variations of SiO6 octahedra across the transition at high pressure. Our results show that the O coordinates split at ~51.4 GPa, where the apical and equatorial Si-O bond lengths cross over, the SiO6 octahedral distortion vanishes, and the SiO6 octahedra start to rotate about the c axis. Moreover, distortion mode analysis shows that an in-plane stretching distortion (GM1+ mode) occurs in the stishovite structure at high pressure while a rotational distortion (GM2+ mode) becomes dominant in the post-stishovite structure. These results are used to correlate with elastic moduli and Landau parameters (symmetry-breaking strain e1–e2 and order parameter Q) to provide atomistic insight into the ferroelastic transition. When the bond lengths of two Si-O bonds are equal due to the contribution from the GM1+ stretching mode, C11 converges with C12, and the shear wave VS1[110] polarizing along [110] and propagating along [110] vanishes. Values of e1–e2 and Q are proportional to the SiO6 rotation angle from the occurrence of the GM1+ rotational mode in the post-stishovite structure. Our results on the pseudo-proper type transition are also compared with that for the proper type in albite and improper type in CaSiO3 perovskite. The symmetry-breaking strain, in all these types of transitions, arises as the primary effect from the structural angle (such as SiO6 rotation or lattice constant angle) and its relevant distortion mode in the low-symmetry ferroelastic phase.

Geochemistry & Geophysics↗
DOE OSTI2022

Visible Light Absorption and Hot Carrier Trapping in Anatase TiO 2 : The Role of Surface Oxygen Vacancies

Anatase TiO 2 is an efficient water splitting photocatalyst using UV light, but solar energy harvesting requires the presence of midgap states to increase visible light absorption. Despite numerous studies, important questions remain regarding the photophysics in O vacancy doped TiO 2 . Here, by employing extreme ultraviolet reflection–absorption (XUV-RA) spectroscopy at the Ti M2,3-edge, spectral signatures of both large and small polaron states are identified, allowing ultrafast electron and hole dynamics in these states to be independently resolved. Results show that visible light absorption occurs via promotion of an electron from the small polaron state to the TiO 2 conduction band. In contrast, absorption of UV light results in direct band gap excitation followed by carrier relaxation during which hot holes trap as small polarons in 45 ± 42 fs, and hot electrons couple to polar optical phonons leading to vibrational coherence and large polaron formation in 945 ± 92 fs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗