Search Results - "Poncé, Samuel"

Dimensional Crossover in the Carrier Mobility of Two-Dimensional Semiconductors: The Case of InSe by Li, Wenbin, Poncé, Samuel, Giustino, Feliciano

“…Two-dimensional (2D) semiconductors are at the center of an intense research effort aimed at developing the next generation of flexible, transparent, and…”
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Route to High Hole Mobility in GaN via Reversal of Crystal-Field Splitting by Poncé, Samuel, Jena, Debdeep, Giustino, Feliciano

“…A fundamental obstacle toward the realization of GaN p-channel transistors is its low hole mobility. Here we investigate the intrinsic phonon-limited mobility…”
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Origin of Low Carrier Mobilities in Halide Perovskites by Poncé, Samuel, Schlipf, Martin, Giustino, Feliciano

“…Halide perovskites constitute a new class of semiconductors that hold promise for low-cost solar cells and optoelectronics. One key property of these materials…”
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Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite CH3NH3PbI3 from Multiphonon Fröhlich Coupling by Schlipf, Martin, Poncé, Samuel, Giustino, Feliciano

“…We elucidate the nature of the electron-phonon interaction in the archetypal hybrid perovskite CH3NH3PbI3 using ab initio many-body calculations and an exactly…”
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Temperature Dependence of the Energy Levels of Methylammonium Lead Iodide Perovskite from First-Principles by Saidi, Wissam A, Poncé, Samuel, Monserrat, Bartomeu

“…Environmental effects and intrinsic energy-loss processes lead to fluctuations in the operational temperature of solar cells, which can profoundly influence…”
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Theory and Computation of Hall Scattering Factor in Graphene by Macheda, Francesco, Poncé, Samuel, Giustino, Feliciano, Bonini, Nicola

“…The Hall scattering factor, r, is a key quantity for establishing carrier concentration and drift mobility from Hall measurements; in experiments, it is…”
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Polarons from First Principles, without Supercells by Sio, Weng Hong, Verdi, Carla, Poncé, Samuel, Giustino, Feliciano

“…We develop a formalism and a computational method to study polarons in insulators and semiconductors from first principles. Unlike in standard calculations…”
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Dominant Scattering Mechanisms in Limiting the Electron Mobility of Scandium Nitride by Rudra, Sourav, Rao, Dheemahi, Poncé, Samuel, Saha, Bivas

“…Electron mobility in nitride semiconductors is limited by electron–phonon, defect, grain-boundary, and dislocation scatterings. Scandium nitride (ScN), an…”
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Reversal of Band-Ordering Leads to High Hole Mobility in Strained p‑type Scandium Nitride by Rudra, Sourav, Rao, Dheemahi, Poncé, Samuel, Saha, Bivas

“…Low hole mobility of nitride semiconductors is a significant impediment to realizing their high-efficiency device applications. Scandium nitride (ScN), an…”
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Understanding Thermal Quenching of Photoluminescence in Oxynitride Phosphors from First Principles by Poncé, Samuel, Jia, Yongchao, Giantomassi, Matteo, Mikami, Masayoshi, Gonze, Xavier

“…Understanding the physical mechanisms behind thermal effects in phosphors is crucial for white light-emitting device (WLEDs) applications, as thermal quenching…”
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Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors by Xia, Chelsea Q, Peng, Jiali, Poncé, Samuel, Patel, Jay B, Wright, Adam D, Crothers, Timothy W, Uller Rothmann, Mathias, Borchert, Juliane, Milot, Rebecca L, Kraus, Hans, Lin, Qianqian, Giustino, Feliciano, Herz, Laura M, Johnston, Michael B

“…Semiconducting polycrystalline thin films are cheap to produce and can be deposited on flexible substrates, yet high-performance electronic devices usually…”
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Accurate Prediction of Hall Mobilities in Two-Dimensional Materials through Gauge-Covariant Quadrupolar Contributions by Poncé, Samuel, Royo, Miquel, Gibertini, Marco, Marzari, Nicola, Stengel, Massimiliano

“…Despite considerable efforts, accurate computations of electron-phonon and carrier transport properties of low-dimensional materials from first principles have…”
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First-principles predictions of Hall and drift mobilities in semiconductors by Poncé, Samuel, Macheda, Francesco, Margine, Elena Roxana, Marzari, Nicola, Bonini, Nicola, Giustino, Feliciano

“…Carrier mobility is at the root of our understanding of electronic devices. We present a unified methodology for the parameter-free calculations of…”
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Special issue on ab initio simulations of electron and phonon transport in nanostructures by Luisier, Mathieu, Poncé, Samuel

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A First-Principles Explanation of the Luminescent Line Shape of SrLiAl3N4:Eu2+ Phosphor for Light-Emitting Diode Applications by Bouquiaux, Julien, Poncé, Samuel, Jia, Yongchao, Miglio, Anna, Mikami, Masayoshi, Gonze, Xavier

“…White light-emitting diodes are gaining popularity and are set to become the most common light source in the U.S. by 2025. However, their performance is still…”
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General invariance and equilibrium conditions for lattice dynamics in 1D, 2D, and 3D materials by Lin, Changpeng, Poncé, Samuel, Marzari, Nicola

“…The long-wavelength behavior of vibrational modes plays a central role in carrier transport, phonon-assisted optical properties, superconductivity, and…”
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Phonon Self-Energy Corrections: To Screen, or Not to Screen by Berges, Jan, Girotto, Nina, Wehling, Tim, Marzari, Nicola, Poncé, Samuel

“…First-principles calculations of phonons are often based on the adiabatic approximation and on Brillouin-zone samplings that might not always be sufficient to…”
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Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN2 and MgSiN2 by Leveillee, Joshua, Poncé, Samuel, Adamski, Nicholas L., Van de Walle, Chris G., Giustino, Feliciano

“…The key obstacle toward realizing integrated gallium nitride (GaN) electronics is its low hole mobility. Here, we explore the possibility of improving the hole…”
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Electron mobility of SnO2 from first principles by Wang, Amanda, Bushick, Kyle, Pant, Nick, Lee, Woncheol, Zhang, Xiao, Leveillee, Joshua, Giustino, Feliciano, Poncé, Samuel, Kioupakis, Emmanouil

“…The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic…”
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Enhanced spin Hall ratio in two-dimensional semiconductors by Zhou, Jiaqi, Poncé, Samuel, Charlier, Jean-Christophe

“…The conversion efficiency from charge current to spin current via the spin Hall effect is evaluated by the spin Hall ratio (SHR). Through state-of-the-art ab…”
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