Elucidating the Influence of Side-Chain Circular Distribution on the Crack Onset Strain and Hole Mobility of Near-Amorphous Indacenodithiophene Copolymers
Abstract not provided
Sommerville, Parker J.W.↗
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Spin-coated fluorinated PbS QD superlattice thin film with high hole mobility
Abstract not provided
Xia, Pan↗
Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN 2 and MgSiN 2
The key obstacle toward realizing integrated gallium nitride (GaN) electronics is its low hole mobility. Here, we explore the possibility of improving the hole mobility of GaN via epitaxial matching to II–IV nitride materials that have recently become available, namely, ZnGeN 2 and MgSiN 2 . We perform state-of-the-art calculations of the hole mobility of GaN using the ab initio Boltzmann transport equation. We show that effective uniaxial compressive strain of GaN along the [$1\bar{1}00$] by lattice matching to ZnGeN 2 and MgSiN 2 results in the inversion of the heavy hole band and split-off hole band, thereby lowering the effective hole mass in the compression direction. We find that lattice matching to ZnGeN 2 and MgSiN 2 induces an increase in the room-temperature hole mobility by 50% and 260% as compared to unstrained GaN, respectively. Further, examining the trends as a function of strain, we find that the variation in mobility is highly nonlinear; lattice matching to a hypothetical solid solution of Zn 0.75 Ge 0.75 Mg 0.25 Si 0.25 N 2 would already increase the hole mobility by 160%.
36 MATERIALS SCIENCE↗
Individual Electron and Hole Mobilities in Lead-Halide Perovskites Revealed by Noncontact Methods
Charge carrier mobilities help determine semiconductor performance in optoelectronic applications, but measurement of the individual electron and hole mobilities usually involves indirect methods or probes with electrical contacts that are influenced by the quality of the interface or contact. Here, a noncontact method is introduced to distinguish the mobilities of electrons and holes by combining time-resolved terahertz spectroscopy (TRTS) and optical transient reflection (TR) spectroscopy. The validation of this method is first demonstrated on a semi-insulator GaAs wafer, and then, three lead-halide perovskite polycrystalline films with different cation mixtures are studied. We find that the hole mobility is significantly higher (~10x) than that of the electron mobility in all of the perovskite thin films studied. The highly alloyed triple cation polycrystalline film shows the highest mobility, longest bulk carrier lifetime, and lowest surface recombination velocity.
14 SOLAR ENERGY↗
Phonon- and defect-limited electron and hole mobility of diamond and cubic boron nitride: A critical comparison
Diamond and cBN are two of the most promising ultra-wide bandgap semiconductors for applications in high-power high-frequency electronic devices. Despite extensive studies on carrier transport in these materials, there are large discrepancies in their reported carrier mobilities. In this work, we investigate the phonon- and dopant-limited electron and hole mobilities of cBN and diamond with atomistic first-principles calculations in order to understand their fundamental upper bounds to carrier transport. Our results show that although the phonon-limited electron mobilities are comparable between cBN and diamond, the hole mobility is significantly lower in cBN due to its heavier hole effective mass. Moreover, although lattice scattering dominates the mobility at low doping, neutral impurity scattering becomes the dominant scattering mechanism at higher dopant concentrations due to the high dopant ionization energies. Our analysis provides critical insights and reveals the intrinsic upper limits to the carrier mobilities of diamond and cBN as a function of doping and temperature for applications in high-power electronic devices.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Experimental Characterization and Modeling of High Hole Mobility GeSn Quantum Wells: The Role of Alloy Disorder Scattering
Understanding mechanisms influencing electrical transport in material systems not only provides a scientific explanation for observed behavior but also offers insight into ways to enhance transport in devices. This study reports experimental hole mobility of 8 x 10 4 cm 2 V -1 s -1 in a Ge 0.92 Sn 0.08 , the highest recorded mobility for the GeSn system. A study of the material's quality is presented using structural and electrical characterization techniques, with transport data being supported by simulations using an extensive modeling framework. Quantum Hall measurements further indicate the material's high quality and potential spintronic applications, with extracted values of 0.0689$m$ 0 and 13.6 for the effective mass and effective g‐factor, respectively. It is observed that transport is limited by alloy disorder scattering at cryogenic temperatures. A comparative study between the presented structure and similar quantum well heterostructures revealed that the difference in hole mobilities is captured by a disparity in the reduced nominal alloy disorder scattering potential (Δ U alloy = 0.8 eV), that is lower than the value of a fully random alloy (Δ U alloy = 1.4–1.7 eV) potential. The difference in Δ U alloy suggests that heterostructures with similar geometries and alloy compositions can have different alloy disorder scattering, implying that an underlying mechanism, such as short‐range order, may be responsible and warrants further investigation.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
High-Mobility Hole Transport in Single-Grain PbSe Quantum Dot Superlattice Transistors
Epitaxially-fused superlattices of colloidal quantum dots (QD epi-SLs) may exhibit electronic minibands and high-mobility charge transport, but electrical measurements of epi-SLs have been limited to large-area, polycrystalline samples in which superlattice grain boundaries and intragrain defects suppress/obscure miniband effects. Systematic measurements of charge transport in individual, highly-ordered epi-SL grains would facilitate the study of minibands in QD films. Here, we demonstrate the air-free fabrication of microscale field-effect transistors (μ-FETs) with channels consisting of single PbSe QD epi-SL grains (2–7 μm channel dimensions) and analyze charge transport in these single-grain devices. The eight devices studied show p-channel or ambipolar transport with a hole mobility as high as 3.5 cm 2 V –1 s –1 at 290 K and 6.5 cm 2 V –1 s –1 at 170–220 K, one order of magnitude larger than that of previous QD solids. The mobility peaks at 150–220 K, but device hysteresis at higher temperatures makes the true mobility–temperature curve uncertain and evidence for miniband transport inconclusive.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Side Chain Engineering of Near-IR Aza-BODIPY Dyes Enables Processable Films with High Hole Mobility in Diodes
Boron chelated azadipyrromethene (Aza-BODIPY) derivatives are promising candidates for near-infrared optoelectronic applications due to their tunable absorption, electron-deficient core, and strong π-conjugation. Here, in this work, we synthesized and studied a series of 1-naphthylethynyl-substituted aza-BODIPY molecules featuring hexyl or hexyloxy solubilizing groups at either the proximal or the distal phenyl positions. These substitutions were designed to improve the solubility, film formation, and optoelectronic properties. We found that solubilizing groups not only enabled uniform solution-processed films but also fine-tuned key properties, such as absorption onset, oxidation potential, and energy levels. Charge transport analysis showed consistently high hole mobilities (∼10 –3 cm 2 /V s) across all substituted derivatives when CuI was used as the hole transport layer, regardless of film morphology. In contrast, electron mobilities tended to be low and inconsistent, partly because of the relatively poor-quality films on the ZnO electron transport layer. Overall, we have shown that solubilizing groups enable film solution-casting and can fine-tune the properties of these near-infrared aza-BODIPY derivatives.
36 MATERIALS SCIENCE↗
Electron and hole mobility of rutile GeO 2 from first principles: An ultrawide-bandgap semiconductor for power electronics
Rutile germanium dioxide (r-GeO 2 ) is a recently predicted ultrawide-bandgap semiconductor with potential applications in high-power electronic devices, for which the carrier mobility is an important material parameter that controls the device efficiency. We apply first-principles calculations based on density functional and density functional perturbation theory to investigate carrier-phonon coupling in r-GeO 2 and predict its phonon-limited electron and hole mobilities as a function of temperature and crystallographic orientation. The calculated carrier mobilities at 300 K are μ elec , ⊥ c → = 244 cm 2 V –1 s –1 , μ elec , ∥ c → = 377 cm 2 V –1 s –1 , μ hole , ⊥ c → = 27 cm 2 V –1 s –1 , and μ hole , ∥ c → = 29 cm 2 V –1 s –1 . At room temperature, carrier scattering is dominated by the low-frequency polar-optical phonon modes. The predicted Baliga figure of merit of n -type r-GeO 2 surpasses several incumbent semiconductors such as Si, SiC, GaN, and β -Ga 2 O 3 , demonstrating its superior performance in high-power electronic devices.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Evaluating the Ratio of Electron and Hole Mobilities from a Single Bulk Sample Using Photo-Seebeck Effect
When a semiconductor is under photoexcitation, the voltage response to a temperature gradient is the photo-Seebeck effect. In this work, we study this effect, focusing on the contribution from transport of photo-excited carriers. We demonstrate that by combining photo-Seebeck with photoconductivity measurements, one can determine the ratio between electron and hole mobilities, and hence both of them when one is known. This is found for the case of defect-free samples, where no detail on the absorbance, carrier lifetime or recombination is necessary. Our method reported here does not require chemical doping, which could introduce defects and is often not feasible. It applies to both thin film and bulk samples. Experiment wise, photo-Seebeck effect is relatively easy to implement, or added to existing systems. In a broader context, for semiconductors with significant influence from defects, our result suggests that the photo-Seebeck behavior can still be understood. In this case another photo-transport property is necessary, in order to identify the mobilities of carriers and information regarding the defects. This framework integrates the information from photoexcitation and thermal gradients to provide a general method to determine fundamental electronic properties of materials.
36 MATERIALS SCIENCE↗
Green solvent-processable poly(3-hexylthiophene) derivative maintains high hole mobility in diodes
The development of environmentally sustainable fabrication methods for organic solar cells (OSCs) is critical to enable their large-scale adoption. Conventional solution-processed OSCs often rely on halogenated, toxic solvents that pose health and environmental risks, limiting their scalability. This is because π-conjugated polymers tend to have a low solubility in non-halogenated solvents. A common strategy to enhance solubility in alternative solvents is through the incorporation of polar solubilizing groups, often on every repeat unit of at least one monomer. However, too many polar side chains tend to disrupt favorable morphology and decrease charge transport properties. In this study, we demonstrate that a minimal degree of side chain functionalization can improve green solvent processability while preserving electrical performance. We tested this hypothesis using our previously reported random copolymer derivative of poly(3-hexylthiophene) (P3HT) where ∼10 mol% of the side chains are 6-pentanoatehexyl side chains. We find that this low-level functionalization significantly broadens the solvents that can be used to process P3HT to less toxic solvents such as o-xylene and anisole. Furthermore, the copolymer processed from greener solvents showed high hole mobilities (∼10⁻ 3 cm 2 /Vs by the Space-Charge Limiting Current method in diodes), comparable to P3HT films cast from toxic chloroform. These findings suggest that minimal side-chain modification is a viable strategy for expanding green solvent compatibility while preserving electrical performance, paving the way toward more sustainable organic semiconductor designs.
36 MATERIALS SCIENCE↗
Tuning Hole Mobility of Individual p-Doped GaAs Nanowires by Uniaxial Tensile Stress
Not Available
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Electron and Hole Mobilities in Bulk Hematite from Spin-Constrained Density Functional Theory
Not Available
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Sharp Drop in the Mobility of Holes with a Decrease in Their Two-Dimensional Concentration by an External Voltage in Boron δ-Doped Diamond Layers
It is shown, both analytically and numerically, that the hole mobility in boron δ-doped (i.e., with a thickness on the order of several lattice constants) diamond layers drops with a decrease in their two-dimensional concentration during depletion of the δ-doped layer by an external voltage. This drop is most pronounced for the maximum initial two-dimensional hole concentrations ~ 3 × 10{sup 13} cm{sup –2} (limited from above by the condition for the possibility of their significant reduction without the electrical breakdown of diamond). This is explained by a decrease in the degree of screening of scattering Coulomb potentials of ionized boron atoms and an increase in the scattering efficiency of degenerate holes from these atoms due to a drop in the kinetic energy of holes. The corresponding calculations of the transport scattering cross section of holes are performed beyond the Born approximation (i.e., perturbation theory), which is inapplicable for boron δ-doped diamond layers. The predicted effect can be used to increase the efficiency of source-to-drain current modulation by a gate voltage in diamond field-effect transistors (FETs) with δ-doped conduction channels.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Quasiparticle band structure and optical properties of rutile GeO 2 , an ultra-wide-band-gap semiconductor
Rutile GeO 2 is a visible and near-ultraviolet-transparent oxide that has not been researched for semiconducting applications in electronic and optoelectronic devices. We explore the electronic and optical properties of rutile GeO 2 with first-principles calculations based on density functional theory and many-body perturbation theory. Our band-structure calculations indicate a dipole-forbidden direct bandgap at Γ with an energy of 4.44 eV and effective masses equal to m* e⟂ = 0.43 m 0 , m* e∥ = 0.23 m 0 , m* h⟂ = 1.28 m 0 , and m* h∥ = 1.74 m 0 . In contrast to the self-trapped hole polarons by lattice distortions in other wide-bandgap oxides that reduce the hole mobility, holes in rutile GeO 2 are delocalized due to their small effective mass. The first allowed optical transitions at Γ occur at 5.04 eV ($\vec{E}$⟂$\vec{c}$) and 6.65 eV ($\vec{E}$∥$\vec{c}$). Furthermore, we evaluate the optical absorption coefficient and refractive index along both crystallographic directions. Our estimates for the exciton binding energies using the Bohr model are close to the reported experimental value. The ultrawide-bandgap and light carrier effective masses of rutile GeO 2 , coupled with its optical transparency in the visible and near UV, are promising for applications in UV-transparent conductors and solar-blind photodetectors.
36 MATERIALS SCIENCE↗
One-Particle and Excitonic Band Structure in Cubic Boron Arsenide
Cubic BAs has received recent attention for its large electron and hole mobilities and large thermal conductivity. This is a rare and much desired combination in semiconductor industry: commercial semiconductors typically have high electron mobilities, or hole mobilities, or large thermal conductivities, but not all of them together. Here, in this paper, predictions from an advanced self-consistent many-body perturbative theory are reported and it is shown that with respect to one-particle properties, BAs is strikingly similar to Si. There are some important differences, notably there is an unusually small variation in the valence band masses. With respect to two-particle properties, significant differences with Si appear. The excitonic spectrum for both q = 0 and finite q is reported, and it is shown that while the direct gap in cubic BAs is about 4 eV, dark excitons can be observed down to about ≈1.5 eV, which may play a crucial role in application of BAs in optoelectronics.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗