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High thermoelectric energy conversion efficiency requires a large figure-of-merit, zT, over a broad temperature range. To achieve this, we optimize the carrier concentrations of n-type PbTe from room up to hot-end temperatures by co-doping…

The dependence of the actual/effective ionic concentration on the nominal salt concentration is experimentally investigated for aqueous solutions of NaCl and KCl. The actual ionic bulk density is determined by means of the impedance…

Chemical Physics · Physics 2022-04-04 G. Barbero , N. G. Fytas , I. Lelidis , J. V. da Silva Andrade , F. C. M. Freire , A. J. Santana

High-performance semiconductor optoelectronics such as perovskites have high-dimensional and vast composition spaces that govern the performance properties of the material. To cost-effectively search these composition spaces, we utilize a…

Computer Vision and Pattern Recognition · Computer Science 2021-05-07 Alexander E. Siemenn , Matthew Beveridge , Tonio Buonassisi , Iddo Drori

We employ first-principles calculations to explore interstitial engineering as a strategy to tailor the hard magnetic properties of Fe2MnSn Heusler alloy, establishing its potential as a rare-earth-free permanent magnet. By introducing…

Materials Science · Physics 2025-07-03 Junaid Jami , Rohit Pathak , N. Venkataramani , K. G. Suresh , Amrita Bhattacharya

Ab-initio spin-polarized Density Functional Theory plus U is used to study the electronic and magnetic properties of tetragonal doped barium titanate (Ba$_{1-x}$Eu$_x$O$_3$) system for different europium (Eu$^{3+}$) concentrations. For this…

Materials Science · Physics 2021-06-04 A. P. Aslla-Quispe , R. H. Miwa , J. D. S. Guerra

Bombardment of materials by high-energy particles (e.g., electrons, nuclei, X- and $\gamma$-ray photons) often leads to light emission, known generally as scintillation. Scintillation is ubiquitous and enjoys widespread applications in many…

Doping lithium-ion battery electrode materials LiMO$_2$ (M = Co, Ni, Mn) with impurities has been shown to be an effective way to optimize their electrochemical properties. Here, we report a detailed first-principles study of layered oxides…

Materials Science · Physics 2017-12-07 Khang Hoang

High-speed electrical switching of Ge2Sb2Te5 (GST) remains a challenging task due to the large impedance mismatch between the low-conductivity amorphous state and the high-conductivity crystalline state. In this letter, we demonstrate an…

Excitonic insulator (EI) is an intriguing insulating phase of matter, where electrons and holes are bonded into pairs, so called excitons, and form a phase-coherent state via Bose-Einstein Condensation (BEC). Its theoretical concept has…

Strongly Correlated Electrons · Physics 2020-10-22 L. Chen , T. T. Han , C. Cai , Z. G. Wang , Y. D. Wang , Z. M. Xin , Y. Zhang

NaI(Tl) large crystals are applied in the search for galactic dark matter particles through their elastic scattering off the target nuclei in the detector by measuring the scintillation signal produced. However, energies deposited in the…

Stabilization of grain structure is important for nanocrystalline alloys, and grain boundary segregation is a common approach to restrict coarsening. Doping can alter grain boundary structure, with high temperature states such as amorphous…

Materials Science · Physics 2023-09-15 Tianjiao Lei , Esther C. Hessong , Daniel S. Gianola , Timothy J. Rupert

Semiconductor materials that can be doped both n-type and p-type are desirable for diode-based applications and transistor technology. Copper nitride (Cu3N) is a metastable semiconductor with a solar-relevant bandgap that has been reported…

Strontium iodide doped with europium is a new scintillator material being developed as an alternative to lanthanum bromide doped with cerium for use in high energy astrophysical detectors. As with all scintillators, the issue of…

Instrumentation and Detectors · Physics 2014-10-30 R. S. Perea , A. M. Parsons , M. Groza , D. Caudel , S. Nowicki , A. Burger , K. G. Stassun , T. E. Peterson

A combinatorial thin-film synthesis approach combined with a high throughput analysis methodology was successfully applied to synthesize TiN/Ni coatings with optimum mechanical properties. The synthesis approach consists of the deposition…

Understanding the physics of structurally and chemically complex transition-metal oxide and polyanionic materials such as those used for battery electrodes is challenging, even at the level of pristine compounds. Yet these materials are…

Materials Science · Physics 2018-07-19 Khang Hoang , M D Johannes

We simulated and experimentally investigated the sputter yield of ZnO and GaAs nanowires, which were implanted with energetic Mn ions at room temperature. The resulting thinning of the nanowires and the dopant concentration with increasing…

In this work we propose a batch Bayesian optimization method for combinatorial problems on permutations, which is well suited for expensive-to-evaluate objectives. We first introduce LAW, an efficient batch acquisition method based on…

Machine Learning · Statistics 2023-01-26 Changyong Oh , Roberto Bondesan , Efstratios Gavves , Max Welling

Perovskite-based nanoscintillators, such as CsPbBr3 nanocrystals (NCs), are emerging as promising candidates for ionizing radiation detection, thanks to their high emission efficiency, rapid response, and facile synthesis. However, their…

We propose a new integrated phase I/II trial design to identify the most efficacious dose combination that also satisfies certain safety requirements for drug-combination trials. We first take a Bayesian copula-type model for dose finding…

Applications · Statistics 2011-08-09 Ying Yuan , Guosheng Yin

Ion implantation is a non-equilibrium doping technique which introduces impurity atoms into a solid regardless of thermodynamic considerations. The formation of metastable alloys above the solubility limit, minimized contribution of lateral…

Materials Science · Physics 2017-04-05 Y. G. Fedorenko