Hole Density Research Articles

Investigation of BPD Faulting under Extreme Carrier Injection in Room vs High Temperature Implanted 3.3kV SiC MOSFETs

Implantation process for high Al dose p+ contact layers in SiC MOSFETs can generate new basal plane dislocations (BPDs). Such BPD faulting under high carrier injection was investigated in SiC MOSFET layers designed for 3.3kV operation with either room temperature (RT) or high temperature (HT) implantations performed for their high dose p+ contact layer. For excess carrier injection levels of ~1x1018 cm-3 implant induced BPDs faulted from the termination regions of the MOSFETs in the case of RT samples, while the HT samples show no BPD faulting because there were no implant-induced BPDs. However, in the active region of the device no BPDs faulted for both the RT as well as HT samples even at a higher carrier injection of ~1x1019 cm-3. Technology computer-aided design (TCAD) simulations show that the lower doped p-well region below the p+ contact in the active area of the device prevents the minority electron density in the p+ contact layer to below 10x the hole density, which limits BPD faulting even when they are present in that layer as in the case of RT implanted samples.

Impact of evolution of structural defects on the ferromagnetic and electrical properties of laser deposited Indium-doped SnO2 thin films

Impact of non-magnetic cationic-substitution on the evolution of structural defects and correlated ferromagnetic and electrical properties are investigated in series of pulsed laser deposited Sn1-xInxO2 (0.0 ≤ x ≤ 0.12) thin films. Beyond the nominal doping concentration of 2 at.% (i.e. x > 0.02), Indium (In)-doped SnO2 film switches to exhibit from n-type to p-type electrical conductivity and simultaneously the magnetization (MS) as well as the Curie temperature (TC) of the films increase significantly. Estimated values of ‘MS’ and ‘TC’ are found to achieve as large as 15.21 emu/cm3 and 540 K respectively when In-doping concentration approaches towards x = 0.08 and afterwards tend to decrease abruptly. Various spectroscopic techniques including Positron Annihilation Lifetime Spectroscopy (PALS) have detected the existence of Sn vacancy (VSn) defects within Sn1-xInxO2 films arise as the effect of In-substitution at Sn site (InSn) under O-rich atmosphere. The estimated positron lifetimes and the increase of line-shape S-parameter confirm the rise of VSn defects which serve as the major source of magnetic moments in non-magnetic host SnO2. Besides, InSn defects introduce excess holes within SnO2 lattice and thereby the magnetic spin-spin RKKY interaction between near-by VSn defects are mediated ferromagetically through the localized holes. For x > 0.08, stabilization of various donor-type defects such as Sn interstitial (Sni), indium interstitial (Ini) actually compensates the acceptors that leads to reduce the effective hole density consequently diminishing the strength of ferromagnetism within SnO2. Hence, tuning of such ferromagnetic and semiconducting properties through non-magnetic cationic substitution in transparent conducting oxides can be very promising in the field of next-generation spintronics.

Endless Dirac nodal lines and high mobility in kagome semimetal Ni3In2Se2 : a theoretical and experimental study

Kagome-lattice crystal is crucial in quantum materials research, exhibiting unique transport properties due to its rich band structure and the presence of nodal lines and rings. Here, we investigate the electronic transport properties and perform first-principles calculations for Ni3In2Se2kagome topological semimetal. First-principles calculations of the band structure without the inclusion of spin-orbit coupling (SOC) shows that three bands are crossing the Fermi level (EF), indicating the semi-metallic nature. With SOC, the band structure reveals a gap opening of the order of 10 meV.Z2index calculations suggest the topologically nontrivial natures (ν0;ν1ν2ν3) = (1;111) both without and with SOC. Our detailed calculations also indicate six endless Dirac nodal lines and two nodal rings with aπ-Berry phase in the absence of SOC. The temperature-dependent resistivity is dominated by two scattering mechanisms:s-dinterband scattering occurs below 50 K, while electron-phonon (e-p) scattering is observed above 50 K. The magnetoresistance (MR) curve aligns with the theory of extended Kohler's rule, suggesting multiple scattering origins and temperature-dependent carrier densities. A maximum MR of 120% at 2 K and 9 T, with a maximum estimated mobility of approximately 3000 cm2V-1s-1are observed. Ni3In2Se2is an electron-hole compensated topological semimetal, as we have carrier density of electron (ne) and hole (nh) arene≈nh, estimated from Hall effect data fitted to a two-band model. Consequently, there is an increase in the mobility of electrons and holes, leading to a higher carrier mobility and a comparatively higher MR. The quantum interference effect leading to the two dimensional (2D) weak antilocalization effect (-σxx∝ln(B)) manifests as the diffusion of nodal line fermions in the 2D poloidal plane and the associated encircling Berry flux of nodal-line fermions.

Stabilization of Sn2+ in FA0.75MA0.25SnI3 perovskite thin films using an electron donor polymer, PCDTBT, and an improvement in the charge transport properties of perovskite solar cells

Lead-free tin halide perovskites for the fabrication of perovskite solar cells have attracted considerable attention due to their outstanding optoelectronic and ecofriendly properties. These materials face severe issues, such as poor environmental stability, low formation energy and faster oxidation of tin from the Sn2+ to Sn4+ state, leading to poor film quality and self-doping. In this work, we have fabricated FA0.75MA0.25SnI3 perovskite thin films via a solution processing method and studied the conjugated polymer poly [N-9′-hepta-decanyl-2,7-carbazole-alt-5,5-(4′,7′-di-2-thienyl-2′,1′,3′-benzothiadia-zole)] (PCDTBT)-induced effects in perovskite thin films. The micro-strain of PCDTBT-doped FA0.75MA0.25SnI3 perovskite reduced without any change in the crystal structure. Reductions in electron trap density have been observed due to improved film quality and enlarged perovskite grains. We have observed that the Sn4+ content in 0.050 wt% PCDTBT-doped FA0.75MA0.25SnI3 perovskite film gets reduced, as shown in the x-ray photoelectron spectroscopy (XPS) results. The reduction in Sn4+ (cause of self-doping) content shows that PCDTBT doping maintains the stability of Sn2+ in FA0.75MA0.25SnI3 perovskite thin film. A decrement in hole density from 3.2 × 1018 cm−3 for pristine films to 1.3 × 1017cm−3 for 0.050 wt% PCDTBT-doped FA0.75MA0.25SnI3 perovskite has been observed from C–V measurement, which is consistent with the XPS results. Thus, PCDTBT doping in perovskite films can effectively tackle the severe issues of tin oxidation and defects in the lead-free tin halide perovskite photoactive layer for solar cell application.

Glimmers in the Cosmic Dawn: A Census of the Youngest Supermassive Black Holes by Photometric Variability* * This research is based on observations made with the NASA/ESA Hubble Space Telescope obtained from the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 526555. These observations are associated with

We report the first results from a deep near-infrared campaign with the Hubble Space Telescope to obtain late-epoch images of the Hubble Ultra Deep Field, 10–15 yr after the first epoch data were obtained. The main objectives are to search for faint active galactic nuclei (AGN) at high redshifts by virtue of their photometric variability and measure (or constrain) the comoving number density of supermassive black holes (SMBHs), n SMBH, at early times. In this Letter, we present an overview of the program and preliminary results concerning eight objects. Three variables are supernovae, two of which are apparently hostless with indeterminable redshifts, although one has previously been recorded as a z ≈ 6 object precisely because of its transient nature. Two further objects are clear AGN at z = 2.0 and 3.2, based on morphology and/or infrared spectroscopy from JWST. Three variable targets are identified at z = 6–7 that are also likely AGN candidates. These sources provide a first measure of n SMBH in the reionization epoch by photometric variability, which places a firm lower limit of 3 × 10−4 cMpc−3. After accounting for variability and luminosity incompleteness, we estimate n SMBH ≳ 8 × 10−3 cMpc−3, which is the largest value so far reported at these redshifts. This SMBH abundance is also strikingly similar to estimates of n SMBH in the local Universe. We discuss how these results test various theories for SMBH formation.

Impacts of post-deposition annealing on hole trap generation at SiO2/p-type GaN MOS interfaces

In this study, impacts of post-deposition annealing (PDA) on hole trap generation at SiO2/p-GaN MOS interfaces are investigated. While the surface potential is strongly pinned due to severe hole trapping after 800 °C PDA, successful hole accumulation is observed when PDA is performed at 200 °C. The density of interface hole traps causing surface potential pinning, extracted from the hump in capacitance–voltage curves, is about 1012 cm–2 with 200 °C PDA, while over 1013 cm–2 when the PDA temperature exceeds 600 °C, regardless of the annealing ambient. Consequently, the origin of these hole traps is speculated to be defects generated by thermal effects.

Quantifying carrier density in monolayer MoS2 by optical spectroscopy.

The successful design and device integration of nanoscale heterointerfaces hinges upon precise manipulation of both ground- and excited-state charge carrier (electron and hole) densities. However, it is particularly challenging to quantify these charge carrier densities in nanoscale materials, leading to uncertainties in the mechanisms of many carrier density-dependent properties and processes. Here, we demonstrate a method that utilizes steady-state and transient absorption spectroscopies to correlate monolayer MoS2 electron density with the easily measured metric of excitonic optical absorption quenching in a variety of mixed-dimensionality s-SWCNT/MoS2 heterostructures. By employing a 2D phase-space filling model, the resulting correlation elucidates the relationship between charge density, local dielectric environment, and concomitant excitonic properties. The phase-space filling model is also able to describe existing trends from the literature on transistor-based measurements on MoS2, WS2, and MoSe2 monolayers that were not previously compared to a physical model, providing additional support for our method and results. The findings provide a pathway to the community for estimating both ground- and excited-state carrier densities in a wide range of TMDC-based systems.

The Mass Density of Merging Binary Black Holes over Cosmic Time

The connection between the binary black hole (BBH) mergers observed by LIGO-Virgo-KAGRA and their stellar progenitors remains uncertain. Specifically, the fraction ϵ of stellar mass that ends up in BBH mergers and the delay time τ between star formation and merger carry information about the astrophysical processes that produce merging BBHs. We model the merger rate in terms of cosmic star formation, coupled with a metallicity-dependent efficiency ϵ and a distribution of delay times τ, and infer these parameters with data from the Third Gravitational-Wave Transient Catalog. The progenitors to merging BBHs preferentially form in low-metallicity environments with a low-metallicity efficiency of log10ϵ<Zt=−3.99−0.87+0.68 and a high-metallicity efficiency of log10ϵ<Zt=−4.60−0.34+0.30 at 90% credibility. The data also prefer short delay times. For a power-law distribution p(τ) ∝ τ α , we find τmin<1.9Gyr and α < −1.32 at 90% credibility. Our model allows us to extrapolate the mass density in BBHs to high redshifts. We cumulatively integrate our density rate over time to get the total density of merging stellar-mass BBHs as a function of redshift. Today, BBH mergers are only ∼0.01% of the total stellar-mass density created by >10 M ⊙ progenitors. However, because massive stars are short lived, there may be more mass in merging BBHs than in living massive stars as early as ∼2.5 Gyr ago. We also compare to the mass in supermassive black holes, finding that the densities were comparable ∼12.5 Gyr ago, but their densities quickly increased to ∼75 times the density in merging stellar-mass BBHs by z ∼ 1.

A high effciency (11.06 %) CZTSSe solar cell achieved by combining Ag doping in absorber and BxCd1-xs/caztsse heterojunction annealing

Many literatures have demonstrated that a smaller amount of Ag doping in Cu2ZnSn(S, Se)4 (CZTSSe) can elevate the open-circuit voltage (Voc) and fill factor (FF) of CZTSSe solar cells, but decrease short-circuit current density (Jsc) due to the increase in bandgap (Eg) of the CAZTSSe by Ag doping. The decreased Jsc limits the enhancement in PCE through Ag doping. In this paper, to compensate for the deficit in Jsc and further increase Voc and FF, a strategy is proposed to substitute CdS/CAZTSSe in CAZTSSe solar cells with annealed B-doped CdS/CAZTSSe. It is found that B doping can increase the electron density of CdS (ne) and decrease the lattice mismatch between CdS and CAZTSSe. Annealing can decrease the hole density of CAZTSSe (np) and passivate the surface of CAZTSSe by diffusing B towards the surface of CAZTSSe. The increased ne and reduced np widen the depletion region, leading to an increase in photogenerated carrier density (JL), resulting in an increase in Jsc. The surface passivation and decreased lattice mismatch can reduce interfacial recombination, resulting in decrease in the reverse saturation current density (J0), so further increases in Voc and FF. By optimizing the Ag doping content, B doping content, as well as the annealing temperature and time of the BxCd1-xS/CAZTSSe, the power conversion efficiency (PCE) increases from 8.96 % to 11.06 %. This study not only advances a deeper understanding of the mechanisms behind various parameters in CZTSSe solar cells but also proposes a method to boost the PCE of CZTSSe solar cells.

Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: A DFT approach

The non-fullerene acceptor (NFA) chromophores have sparked scientific and economic interest, due to their rapid advancements in power conversion efficiencies. Therefore, a series of new chlorothiazole based compounds (STM1-STM6) with A1–π–A2–π–A1 configuration was designed using reference chromophore (STMR). Structural modifications were made via incorporating selenophene and extended acceptor units, to enhance photovoltaic response in the designed materials. Density functional theory/time dependent-density functional theory (DFT/TD-DFT) calculations were executed at M06/6-311G (d,p) level to investigate key electronic and photovoltaic properties of STM1-STM6. So, various analyses such as UV–Visible, frontier molecular orbitals (FMOs), transition density matrix (TDM), density of states (DOS), open circuit voltage (Voc) and binding energy (Eb) were conducted to comprehend the photovoltaic properties. The designing in structural aspects with terminal acceptors and π-linker induced a reduction in energy gaps (ΔE = 2.078–2.237 eV) with an enhancement in the bathochromic shift (λmax = 744.650–798.250 nm in chloroform) than reference compound. A higher exciton dissociation rate was observed in all the compounds due to lower binding energy values (Eb = 0.525–0.572 eV). Additionally, TDM and DOS findings further endorsed the effective charge delocalization from HOMO to LUMO. Among all the examined compounds, STM3 exhibited the smallest band gap (2.078 eV), highest absorption maxima (798.250 nm), and the lowest exciton binding energy (0.525 eV), indicating significant electronic properties. Moreover, Voc analysis was conducted with respect to HOMOPBDBT-LUMOacceptor for all the designed chromophores; consequently, STM2 demonstrated a substantial Voc value of 1.647 V. Similarly, electron hole analysis was also conducted and significant electron and hole density was observed in all the investigated compounds, especially in STM2. The entitled compounds with photovoltaic potential would be considered as promising materials for the development of solar energy devices.

Lateral 1200V SiC schottky barrier diode with single event burnout tolerance

For a power device to be used in space, it must be able to recover from a single event effect caused by heavy ion radiation. Conventional vertical silicon carbide (SiC) power devices such as automotive diodes and MOSFETs, can only meet this requirement if they are heavily derated, a 1200 V device typically unusable above 200 V. In this paper, a lateral RESURF Schottky diode has been designed in TCAD simulation using a radiation-hard (rad-hard) by design methodology. By preventing anode-to-cathode shorting that occurs in a vertical drift region, the lateral design is shown to recover after a heavy ion traverses the device with a linear energy transfer (LET) of 60 MeV·cm2/mg, while the device is blocking 1200 V. The design splits the drift region into a higher doping zone closer to the cathode (Zone 2) of 1.5×1017 cm−3 and a lower doping zone closer to the anode (Zone 1) of 1×1016 cm−3. The electric field spikes were reduced while the device was recovering. This design keeps the local temperature in the device to under 1000 K if the heavy ion penetrates the device in a direction perpendicular to the surface. Other entry positions and directions are also simulated and a maximum temperature of 1733 K occurs when the ion path is horizontal, entering at 1 μm below the surface. However, this temperature peak occurs at the cathode, which is not expected to lead to lasting leakage damage. A deep P+ pillar embedded into the anode acts as a collector for holes generated during the single event. Simulations show that a deeper P+ pillar, to a depth of up to 5 μm, reduces the hole density in the N-drift region and P-epi layer during recovery. This also allows the Zone 1 doping to be increased to as much as 5×1016 cm−3, thereby reducing on-state losses.

Defect and dopant complex mediated high power factor in transparent selenium-doped copper iodide thin films

Copper iodide (CuI) is a promising p-type transparent thermoelectric material for near-room temperature energy harvesting. We report a high-power factor for selenium (Se)-doped CuI films. Ion beam-sputtered CuI films were doped using 30 keV 80Se+ implantation with Se concentration varying between 0.50% and 6.50%. Hall effect measurements showed a ∼34% increase in electrical conductivity (σ ≈ 36.1 Ω−1cm−1) due to a ∼54% increase in carrier density (pH ≈ 5.4 × 1019 cm−3) in the p-type γ-CuI film implanted with 5.0 × 1014 Se.cm−2. A high Seebeck coefficient, α ≈ 388.9 μVK−1−1, and moderate electrical conductivity, σ ≈ 29.1 Ω−1cm−1, yield a nearly 85% increase in the power factor, α2σ ≈ 439.7 μWm−1K−2, for a 1.0 × 1015 Se.cm−2 implanted film compared to the unimplanted film (α2σ ≈ 236.4 μWm−1K−2). Monte Carlo simulation and ab initio density functional theory calculations revealed that the increased displacement per atom values and the {SeI−VCu} defect complex-induced shallow acceptor could be attributed to the observed increase in hole density. Our results highlight that native defects and defect complexes are beneficial for enhancing the power factor in transparent CuI for thermoelectric applications.

MBE growth of Ge1−x Sn x devices with intrinsic disorder

We discuss the electrical properties of molecular beam epitaxy (MBE) grown, modulation doped, Ge1−x Sn x quantum well devices. A consequence of the epitaxial growth process is that electronic disorder is introduced even in modulation doped quantum well structures and electrical transport properties that are characteristic of a high level of disorder are apparent. MBE growth of this material also results in the surface segregation of elemental β-Sn in the way that has been observed utilizing other epitaxial growth methods. A thermally activated, p-type mobility is a clear feature of the electrical properties with generally temperature independent hole densities ∼1012 cm−2 from the measured Hall effect and coming from the modulation doping. We present a discussion of Hall effect measurements in this disordered regime. The percolation carrier density in MBE modulation doped GeSn is in the region of ∼1 × 1012 cm−2 although Hall measurements in this regime are difficult to quantify when the resistivity >(h/e 2). In this notation h is Planck’s constant and e is the unit of charge. Conductivities (σ) as low as ∼0.028 × (e 2/h) × square can be measured in the four-contact ac configuration and the temperature dependence indicates a mobility edge in these p-type devices below ∼2 × 1012 cm−2. At lower temperatures (<∼1 K) the presence of a Coulomb gap can be determined using dc transport, constant voltage measurements where small ac current excitation is not available experimentally. This two-contact configuration can determine σ down to ∼10−6 × (e 2/h), deep into the localization regime, revealing a hopping conductivity dominated system. We discuss the relevance of these electrical properties for MBE grown GeSn devices.

Central cone film cooling scheme of turbofan engine based on multi-fidelity simulation

To improve the computational efficiency of multi-fidelity simulation, an improved fully coupled method was proposed, which was applied to the coupled simulation of a 3-D model of an exhaust system and a 0-D model of a turbofan engine. Different from conventional approach, by “truncating” the engine model, the CFD calculation of the exhaust system can be decoupled from the solution of nonlinear equations in the engine model, and an outer iteration equation set was constructed to solve the multi-fidelity model. It was found that the improved fully coupled method has better computational efficiency than traditional methods while maintaining equivalent computational results. Then, the improved fully coupled method was applied to the design of the central cone film cooling system, the influence of cooling gas bleed mechanism, the hole open area ratio of the central cone and hole density, hole direction, hole shape on the infrared characteristics was investigated. The impact of central cone film cooling on the overall performance of the engine was quantitatively evaluated. Combined with various favorable factors, when maintaining the HP rotor speed unchanged, the integrated infrared radiation intensity of the central cone under supersonic cruise conditions is reduced by 93 % compared to the uncooled state, while the engine thrust increases by 0.3 % and fuel consumption rate increases by 0.18 %. The multi-fidelity simulation method proposed in this paper and the conclusions obtained are of great significance for the structural design of low-infrared exhaust systems.

Emergent normal fluid in the superconducting ground state of overdoped cuprates

The microscopic mechanism for the disappearance of superconductivity in overdoped cuprates is still under heated debate. Here we use scanning tunneling spectroscopy to investigate the evolution of quasiparticle interference phenomenon in Bi2Sr2CuO6+δ over a wide range of hole densities. We find that when the system enters the overdoped regime, a peculiar quasiparticle interference wavevector with arc-like pattern starts to emerge even at zero bias, and its intensity grows with increasing doping level. Its energy dispersion is incompatible with the octet model for d-wave superconductivity, but is highly consistent with the scattering interference of gapless normal carriers. The gapless quasiparticles are mainly located near the antinodes and are independent of temperature, consistent with the disorder scattering mechanism. We propose that a branch of normal fluid emerges from the pair-breaking scattering between flat antinodal bands in the quantum ground state, which is the primary cause for the reduction of superfluid density and suppression of superconductivity in overdoped cuprates.

Enhancement of ionospheric heating effect by chemical release

The ionosphere can be artificially modified by employing ground-based high-power high-frequency electromagnetic waves to irradiate the ionosphere. This modification is achieved through the nonlinear interaction between the electromagnetic waves and the ionospheric plasma, leading to changes in the physical properties and structure of the ionosphere. The degree of artificial modification of the ionosphere is closely related to the heating energy density of high-frequency pump waves. Due to the high density of neutral constituents in the lower ionosphere and the high frequency of electron-neutral collisions, the energy of heating pump waves will be absorbed and attenuated during the penetration of the low ionosphere, seriously affecting the heating effect. This paper proposes a method to reduce the absorption of ionospheric heating pump waves by releasing electron attachment chemicals into low ionosphere to form a large-scale electron density hole. A model for mitigating pump waves absorption based on SF6 release is established, and the absorption at different frequencies is quantitatively calculated. The propagation characteristics of high-frequency signals in ionospheric holes are studied using a three-dimensional ray tracing method, and the results demonstrate that the chemical release method not only reduces the absorption attenuation of heating pump waves but also forms spherical electron density holes, which exhibit a focusing effect on the heating beam and enhance the heating effect. The results are of great significance for understanding the nonlinear interaction between electromagnetic wave and ionospheric plasma and improving the ionospheric heating efficiency.

Black holes and Marchenko-Pastur distribution

The universal eigenvalue distribution characterizing the Gram matrix of semiclassical ensembles of black hole microstates is recognized as the Marchenko-Pastur distribution, which plays a prominent role as the universal limit distribution in a large class of random matrix and vector models. It is proposed that this distribution also universally determines the energy spectral density of black holes, which allows one to construct a Krylov space for the time evolution of typical black hole states and calculate their state complexity. It is checked that the state complexity growth at late times saturates Lloyd’s bound. Some implications of the proposed spectral density for the generation of Hawking radiation and black hole evaporation are discussed. Published by the American Physical Society 2024

Drag of electron–hole bilayer in silicon-on-insulator metal-oxide-semiconductor field-effect transistor at low temperature

Drag between the electron and the hole layers formed in a silicon-on-insulator MOSFET, with the estimated interlayer distance as small as 18 nm, is investigated. The drag resistance is measured at 10 K and mapped on the plane defined by the electron and hole densities. Analysis shows that the Coulomb drag predominates over the competing virtual-phonon drag. The observed drag resistance is as large as 103-104 Ω, indicating strong Coulomb interaction between the electron and hole layers.

1H, 1, 2, 3- Triazole Tethered imidazole-Isatin conjugates: Synthesis, DFT and optical properties

Novel functional materials, namely TPI-TAZ-ISA, NADPI-TAZ-ISA, ADPI-TAZ-ISA, and DMAPDPI-TAZ-ISA, were synthesized utilizing click chemical reactions and subjected to thorough characterization. The optical properties of these organic materials, TPI-TAZ-ISA, NADPI-TAZ-ISA, ADPI-TAZ-ISA, and DMAPDPI-TAZ-ISA, were investigated in various solvent environments. Notably, ADPI-TAZ-ISA exhibited a maximum absorption wavelength of 390 nm attributed to π – π* electronic transitions, primarily originating from the fluorophore group, while displaying a blue fluorescence at 465 nm. A comprehensive investigation combining experimental and theoretical approaches was conducted for these compounds, revealing a non-planar molecular structure and theoretical energy band gaps ranging from 4.10 to 4.73 eV. DFT studies demonstrated well-defined spatial separation of the HOMO and LUMO for all compounds in the ground state (S0). NTO studies further elucidated the spatial separation of the HONTO and LUNTO for DMAPDPI-TAZ-ISA at the excited state (S2), corroborated by CDD, hole and electron contributions, and the overlap of hole and electron densities. These findings hold promise for the development of novel luminescent materials. Moreover, on-going research is exploring the integration of ISA to enhance the functionality of these materials further.

Unraveling electronic origins for boosting thermoelectric performance of p-type (Bi,Sb)2Te3.

P-type Bi2-xSbxTe3 compounds are crucial for thermoelectric applications at room temperature, with Bi0.5Sb1.5Te3 demonstrating superior performance, attributed to its maximum density-of-states effective mass (m*). However, the underlying electronic origin remains obscure, impeding further performance optimization. Herein, we synthesized high-quality Bi2-xSbxTe3 (00 l) films and performed comprehensive angle-resolved photoemission spectroscopy (ARPES) measurements and band structure calculations to shed light on the electronic structures. ARPES results directly evidenced that the band convergence along the [Formula: see text]-[Formula: see text] direction contributes to the maximum m* of Bi0.5Sb1.5Te3. Moreover, strategic manipulation of intrinsic defects optimized the hole density of Bi0.5Sb1.5Te3, allowing the extra valence band along [Formula: see text]-[Formula: see text] to contribute to the electrical transport. The synergy of the above two aspects documented the electronic origins of the Bi0.5Sb1.5Te3's superior performance that resulted in an extraordinary power factor of ~5.5 milliwatts per meter per square kelvin. The study offers valuable guidance for further performance optimization of p-type Bi2-xSbxTe3.