ab initio Electronic Transport Model with Explicit Solution to the Linearized Boltzmann Transport Equation

Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE) either rely heavily on experimental data (i.e., semi-empirical), or utilize simplifying assumptions, such as the constant relaxation time approximation (BTE-cRTA). While these models offer valuable physical insights and accurate calculations of transport properties in some cases, they often lack sufficient accuracy -- particularly in capturing the correct trends with temperature and carrier concentration. We present here a general transport model for calculating low-field electrical drift mobility and Seebeck coefficient of n-type semiconductors, by explicitly considering all relevant physical phenomena (i.e. elastic and inelastic scattering mechanisms). We first rewrite expressions for the rates of elastic scattering mechanisms, in terms of ab initio properties, such as the band structure, density of states, and polar optical phonon frequency. We then solve the linear BTE to obtain the perturbation to the electron distribution -- resulting from the dominant scattering mechanisms -- and use this to calculate the overall mobility and Seebeck coefficient. Using our model, we accurately calculate electrical transport properties of the compound n-type semiconductors, GaAs and InN, over various ranges of temperature and carrier concentration. Our fully predictive model provides high accuracy when compared to experimental measurements on both GaAs and InN, and vastly outperforms both semi-empirical models and the BTE-cRTA. Therefore, we assert that this approach represents a first step towards a fully ab initio carrier transport model that is valid in all compound semiconductors

The Squarehead and the Square

Corporal Long told me that when the Squarehead applied for enlistment at the Baltimore Recruiting Office he was so unsophisticated that they had to lash him to a bunk and blindfold him before they could get leather shoes on him. Major Kelly, The Colonel of Salmagundi days, was the recruiting officer that accepted the latest immigrant from Schleswig, and thereby wove for himself a crown of thorns

Everything Is Peaches Down In Georgia

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There\u27s A Lot Of Blue Eyed Mary\u27s In Maryland

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Formation of diluted III–V nitride thin films by N ion implantation

iluted III–Nₓ–V₁ˍₓ alloys were successfully synthesized by nitrogen implantation into GaAs,InP, and AlyGa1−yAs. In all three cases the fundamental band-gap energy for the ion beam synthesized III–Nₓ–V₁ˍₓ alloys was found to decrease with increasing N implantation dose in a manner similar to that observed in epitaxially grownGaNₓAs1−x and InNₓP₁ˍₓalloys. In GaNₓAs₁ˍₓ the highest value of x (fraction of “active” substitutional N on As sublattice) achieved was 0.006. It was observed that NAs is thermally unstable at temperatures higher than 850 °C. The highest value of x achieved in InNₓP₁ˍₓ was higher, 0.012, and the NP was found to be stable to at least 850 °C. In addition, the N activation efficiency in implantedInNₓP₁ˍₓ was at least a factor of 2 higher than that in GaNₓAs₁ˍₓ under similar processing conditions. AlyGa1−yNₓAs₁ˍₓ had not been made previously by epitaxial techniques. N implantation was successful in producing AlyGa1−yNₓAs₁ˍₓalloys. Notably, the band gap of these alloys remains direct, even above the value of y (y>0.44) where the band gap of the host material is indirect.This work was supported by the ‘‘Photovoltaic Materials Focus Area’’ in the DOE Center of Excellence for the Synthesis and Processing of Advanced Materials, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences under U.S. Department of Energy Contract No. DE-ACO3-76SF00098. The work at UCSD was partially supported by Midwest Research Institute under subcontractor No. AAD-9-18668-7 from NREL

Effect of Native Defects on Optical Properties of InxGa1-xN Alloys

The energy position of the optical absorption edge and the free carrier populations in InxGa1-xN ternary alloys can be controlled using high energy 4He+ irradiation. The blue shift of the absorption edge after irradiation in In-rich material (x > 0.34) is attributed to the band-filling effect (Burstein-Moss shift) due to the native donors introduced by the irradiation. In Ga-rich material, optical absorption measurements show that the irradiation-introduced native defects are inside the bandgap, where they are incorporated as acceptors. The observed irradiation-produced changes in the optical absorption edge and the carrier populations in InxGa1-xN are in excellent agreement with the predictions of the amphoteric defect model

Microstructure, magneto-transport and magnetic properties of Gd-doped magnetron-sputtered amorphous carbon

The magnetic rare earth element gadolinium (Gd) was doped into thin films of amorphous carbon (hydrogenated \textit{a}-C:H, or hydrogen-free \textit{a}-C) using magnetron co-sputtering. The Gd acted as a magnetic as well as an electrical dopant, resulting in an enormous negative magnetoresistance below a temperature ($T'$). Hydrogen was introduced to control the amorphous carbon bonding structure. High-resolution electron microscopy, ion-beam analysis and Raman spectroscopy were used to characterize the influence of Gd doping on the \textit{a-}Gd$_x$C$_{1-x}$(:H$_y$) film morphology, composition, density and bonding. The films were largely amorphous and homogeneous up to $x$=22.0 at.%. As the Gd doping increased, the $sp^{2}$-bonded carbon atoms evolved from carbon chains to 6-member graphitic rings. Incorporation of H opened up the graphitic rings and stabilized a $sp^{2}$-rich carbon-chain random network. The transport properties not only depended on Gd doping, but were also very sensitive to the $sp^{2}$ ordering. Magnetic properties, such as the spin-glass freezing temperature and susceptibility, scaled with the Gd concentration.Comment: 9 figure

Structural and Electronic Properties of Amorphous and Polycrystalline In2Se3 Films

Structural and electronic properties of amorphous and single-phase polycrystalline films of gamma- and kappa-In2Se3 have been measured. The stable gamma phase nucleates homogeneously in the film bulk and has a high resistivity, while the metastable kappa phase nucleates at the film surface and has a moderate resistivity. The microstructures of hot-deposited and post-annealed cold-deposited gamma films are quite different but the electronic properties are similar. The increase in the resistivity of amorphous In2Se3 films upon annealing is interpreted in terms of the replacement of In-In bonds with In-Se bonds during crystallization. Great care must be taken in the preparation of In2Se3 films for electrical measurements as the presence of excess chalcogen or surface oxidation may greatly affect the film properties.Comment: 23 pages and 12 figure