Spin Electron-Phonon in 2D materials

Project Information

SELPH2D

Grant agreement ID: 839217

DOI

10.3030/839217

Project closed

EC signature date 9 April 2019

Start date 1 November 2019

End date 31 October 2021

Funded under

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Total cost

€ 203 149,44

EU contribution

€ 203 149,44

Coordinated by

ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE
Switzerland

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (10)

Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors

Author(s): Chelsea Q. Xia, Jiali Peng, Samuel Poncé, Jay B. Patel, Adam D. Wright, Timothy W. Crothers, Mathias Uller Rothmann, Juliane Borchert, Rebecca L. Milot, Hans Kraus, Qianqian Lin, Feliciano Giustino, Laura M. Herz, Michael B. Johnston
Published in: The Journal of Physical Chemistry Letters, Issue 12/14, 2021, Page(s) 3607-3617, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.1c00619

Common workflows for computing material properties using different quantum engines

Author(s): Sebastiaan P. Huber, Emanuele Bosoni, Marnik Bercx, Jens Bröder, Augustin Degomme, Vladimir Dikan, Kristjan Eimre, Espen Flage-Larsen, Alberto Garcia, Luigi Genovese, Dominik Gresch, Conrad Johnston, Guido Petretto, Samuel Poncé, Gian-Marco Rignanese, Christopher J. Sewell, Berend Smit, Vasily Tseplyaev, Martin Uhrin, Daniel Wortmann, Aliaksandr V. Yakutovich, Austin Zadoks, Pezhman Zarabadi-Poo
Published in: npj Computational Materials, Issue 7/1, 2021, ISSN 2057-3960
Publisher: Springer Nature
DOI: 10.1038/s41524-021-00594-6

Structural, electronic, elastic, power, and transport properties of β − Ga 2 O 3 from first principles

Author(s): Samuel Poncé, Feliciano Giustino
Published in: Physical Review Research, Issue 2/3, 2020, ISSN 2643-1564
Publisher: American Physical Society
DOI: 10.1103/physrevresearch.2.033102

Ultrafast photo-induced phonon hardening in MAPbI 3 single-crystal and polycrystalline perovskites

Author(s): Chelsea Qiushi Xia, Samuel Ponce, Jiali Peng, Aleksander M Ulatowski, Jay B Patel, Adam D Wright, Rebecca Milot, Hans Kraus, Qianqian Lin, Laura Herz, Feliciano Giustino, Michael B Johnston
Published in: Journal of Physics: Materials, Issue 4, 2021, Page(s) 044017, ISSN 2515-7639
Publisher: IOP
DOI: 10.1088/2515-7639/ac22b9

Importance of Long‐Range Channel Sr Displacements for the Narrow Emission in Sr[Li 2 Al 2 O 2 N 2 ]:Eu 2+ Phosphor

Author(s): Julien Bouquiaux, Samuel Poncé, Yongchao Jia, Anna Miglio, Masayoshi Mikami, Xavier Gonze
Published in: Advanced Optical Materials, 2021, Page(s) 2100649, ISSN 2195-1071
Publisher: Wiley
DOI: 10.1002/adom.202100649

Virtual Computational Chemistry Teaching Laboratories—Hands-On at a Distance

Author(s): Rika Kobayashi, Theodorus P. M. Goumans, N. Ole Carstensen, Thomas M. Soini, Nicola Marzari, Iurii Timrov, Samuel Poncé, Edward B. Linscott, Christopher J. Sewell, Giovanni Pizzi, Francisco Ramirez, Marnik Bercx, Sebastiaan P. Huber, Carl S. Adorf, Leopold Talirz
Published in: Journal of Chemical Education, Issue 98, 2021, Page(s) 3163, ISSN 0021-9584
Publisher: American Chemical Society
DOI: 10.1021/acs.jchemed.1c00655

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

Author(s): Samuel Poncé, Wenbin Li, Sven Reichardt, Feliciano Giustino
Published in: Reports on Progress in Physics, Issue 83/3, 2020, Page(s) 036501, ISSN 0034-4885
Publisher: Institute of Physics Publishing
DOI: 10.1088/1361-6633/ab6a43

Theory and Computation of Hall Scattering Factor in Graphene

Author(s): Francesco Macheda, Samuel Poncé, Feliciano Giustino,Nicola Bonini
Published in: Nano Lett., Issue 20, 2020, Page(s) 8861, ISSN 1530-6984
Publisher: American Chemical Society
DOI: 10.1021/acs.nanolett.0c03874

Design rule for the emission linewidth of Eu 2 + -activated phosphors

Author(s): Yongchao Jia, Samuel Poncé, Anna Miglio, Masayoshi Mikami, Xavier Gonze
Published in: Journal of Luminescence, Issue 224, 2020, Page(s) 117258, ISSN 0022-2313
Publisher: Elsevier BV
DOI: 10.1016/j.jlumin.2020.117258

Superconducting properties of MoTe 2 from ab initio anisotropic Migdal-Eliashberg theory

Author(s): Hari Paudyal, Samuel Poncé, Feliciano Giustino, Elena R. Margine
Published in: Physical Review B, Issue 101/21, 2020, ISSN 2469-9950
Publisher: APS
DOI: 10.1103/physrevb.101.214515