133 entries « 1 of 7 »

2020

Superconducting properties of MoTe2 from ab initio anisotropic Migdal-Eliashberg theory

H. Paudyal; S. Poncé; F. Giustino; E. R. Margine

Superconducting properties of MoTe2 from ab initio anisotropic Migdal-Eliashberg theory Journal Article

Physical Review B, 101 , pp. 214515, 2020.

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Electron-polaron dichotomy of charge carriers in perovskite oxides

M.-A. Husanu; L. Vistoli; C. Verdi; A. Sander; V. Garcia; J. Rault; F. Bisti; T. Schmitt; F. Giustino; A. S. Mishchenko; M. Bibes; V. N. Strocov

Electron-polaron dichotomy of charge carriers in perovskite oxides Journal Article

Communications Physics, 3 , pp. s42005-020-0330-6, 2020.

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Theory of the special displacement method for electronic structure calculations at finite temperature

Marios Zacharias; Feliciano Giustino

Theory of the special displacement method for electronic structure calculations at finite temperature Journal Article

Physical Review Research, 2 , pp. 013357, 2020.

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First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

Samuel Poncé; Wenbin Li; Sven Reichardt; Feliciano Giustino

First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials Journal Article

Reports on Progress in Physics, 83 (3), pp. 036501, 2020.

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SternheimerGW: A program for calculating GW quasiparticle band structures and spectral functions without unoccupied states

Martin Schlipf; Henry Lambert; Nourdine Zibouche; Feliciano Giustino

SternheimerGW: A program for calculating GW quasiparticle band structures and spectral functions without unoccupied states Journal Article

Computer Physics Communications, 247 , pp. 106856, 2020.

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Many-body renormalization of the electron effective mass of InSe

Wenbin Li; Feliciano Giustino

Many-body renormalization of the electron effective mass of InSe Journal Article

Physical Review B, 101 (3), pp. 035201, 2020.

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2019

Slot-die-printed two-dimensional ZrS3 charge transport layer for perovskite light-emitting diodes

Dmitry S Muratov; Artur R Ishteev; Dmitry A Lypenko; Vladislav O Vanyushin; Pavel Gostishev; Svetlana Perova; Danila S Saranin; Daniele Rossi; Matthias Auf der Maur; George Volonakis; Feliciano Giustino; Per. O Å Persson; Denis V Kuznetsov; Alexander Sinitskii; Di Carlo, Aldo

Slot-die-printed two-dimensional ZrS3 charge transport layer for perovskite light-emitting diodes Journal Article

ACS Applied Materials & Interfaces, 11 (51), pp. 48021-48028, 2019.

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Route to high hole mobility in GaN via reversal of crystal-field splitting

Samuel Poncé; Debdeep Jena; Feliciano Giustino

Route to high hole mobility in GaN via reversal of crystal-field splitting Journal Article

Physical Review Letters, 123 , pp. 096602, 2019.

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Hole mobility of strained GaN from first principles

Samuel Poncé; Debdeep Jena; Feliciano Giustino

Hole mobility of strained GaN from first principles Journal Article

Physical Review B, 100 , pp. 085204, 2019.

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Polarons from first principles, without supercells

Weng Hong Sio; Carla Verdi; Samuel Poncé; Feliciano Giustino

Polarons from first principles, without supercells Journal Article

Physical Review Letters, 122 , pp. 246403, 2019.

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Ab initio theory of polarons: Formalism and applications

Weng Hong Sio; Carla Verdi; Samuel Poncé; Feliciano Giustino

Ab initio theory of polarons: Formalism and applications Journal Article

Physical Review B, 99 , pp. 235139, 2019.

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Trellises of molecular oxygen on anatase TiO2(101)

Christian Dette; Miguel A Pérez-Osorio; Shai Mangel; Feliciano Giustino; Soon Jung Jung; Klaus Kern

Trellises of molecular oxygen on anatase TiO2(101) Journal Article

The Journal of Physical Chemistry C, 123 (43), pp. 26170-26177, 2019.

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Coexistence of superconductivity with enhanced charge density wave order in the two-dimensional limit of TaSe2

Chao-Sheng Lian; Christoph Heil; Xiaoyu Liu; Chen Si; Feliciano Giustino; Wenhui Duan

Coexistence of superconductivity with enhanced charge density wave order in the two-dimensional limit of TaSe2 Journal Article

The Journal of Physical Chemistry Letters, 10 (14), pp. 4076-4081, 2019.

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Oxide analogs of halide perovskites and the new semiconductor Ba2AgIO6

George Volonakis; Nobuya Sakai; Henry J Snaith; Feliciano Giustino

Oxide analogs of halide perovskites and the new semiconductor Ba2AgIO6 Journal Article

The Journal of Physical Chemistry Letters, 10 (8), pp. 1722-1728, 2019.

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Manipulating surface magnetic order in iron telluride

Christopher Trainer; Chi M Yim; Christoph Heil; Feliciano Giustino; Dorina Croitori; Vladimir Tsurkan; Alois Loidl; Efrain E Rodriguez; Chris Stock; Peter Wahl

Manipulating surface magnetic order in iron telluride Journal Article

Science Advances, 5 (3), 2019.

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Dimensional crossover in the carrier mobility of two-dimensional semiconductors: The case of InSe

Wenbin Li; Samuel Poncé; Feliciano Giustino

Dimensional crossover in the carrier mobility of two-dimensional semiconductors: The case of InSe Journal Article

Nano Letters, 19 (3), pp. 1774-1781, 2019.

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Origin of low carrier mobilities in halide perovskites

Samuel Poncé; Martin Schlipf; Feliciano Giustino

Origin of low carrier mobilities in halide perovskites Journal Article

ACS Energy Letters, 4 (2), pp. 456-463, 2019.

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2018

Carrier lifetimes and polaronic mass enhancement in the hybrid halide perovskite CH3NH3PbI3 from multiphonon Fröhlich coupling

Martin Schlipf; Samuel Poncé; Feliciano Giustino

Carrier lifetimes and polaronic mass enhancement in the hybrid halide perovskite CH3NH3PbI3 from multiphonon Fröhlich coupling Journal Article

Physical Review Letters, 121 , pp. 086402, 2018.

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Quasiparticle GW band structures and Fermi surfaces of bulk and monolayer NbS2

Christoph Heil; Martin Schlipf; Feliciano Giustino

Quasiparticle GW band structures and Fermi surfaces of bulk and monolayer NbS2 Journal Article

Physical Review B, 98 , pp. 075120, 2018.

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Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2

Fabio Caruso; Carla Verdi; Samuel Poncé; Feliciano Giustino

Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2 Journal Article

Physical Review B, 97 , pp. 165113, 2018.

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133 entries « 1 of 7 »