152 entries « 1 of 8 »

2021

Dynamic Rashba-Dresselhaus Effect

Martin Schlipf; Feliciano Giustino

Dynamic Rashba-Dresselhaus Effect Journal Article

Phys. Rev. Lett., 127 , pp. 237601, 2021.

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Monolayer 1T-NbSe2 as a 2D-correlated magnetic insulator

Mengke Liu; Joshua Leveillee; Shuangzan Lu; Jia Yu; Hyunsue Kim; Cheng Tian; Youguo Shi; Keji Lai; Chendong Zhang; Feliciano Giustino; Chih-Kang Shih

Monolayer 1T-NbSe2 as a 2D-correlated magnetic insulator Journal Article

Science Advances, 7 (47), pp. eabi6339, 2021.

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Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids

Marios Zacharias; Hélène Seiler; Fabio Caruso; Daniela Zahn; Feliciano Giustino; Pantelis C Kelires; Ralph Ernstorfer

Efficient First-Principles Methodology for the Calculation of the All-Phonon Inelastic Scattering in Solids Journal Article

Phys. Rev. Lett., 127 , pp. 207401, 2021.

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Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials

Marios Zacharias; Hélène Seiler; Fabio Caruso; Daniela Zahn; Feliciano Giustino; Pantelis C Kelires; Ralph Ernstorfer

Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials Journal Article

Physical Review B, 104 (20), 2021, ISSN: 2469-9969.

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First-principles predictions of Hall and drift mobilities in semiconductors

Samuel Poncé; Francesco Macheda; Elena Roxana Margine; Nicola Marzari; Nicola Bonini; Feliciano Giustino

First-principles predictions of Hall and drift mobilities in semiconductors Journal Article

Physical Review Research, 3 (4), 2021, ISSN: 2643-1564.

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Ultrafast photo-induced phonon hardening due to Pauli blocking in MAPbI3 single-crystal and polycrystalline perovskites

Chelsea Q Xia; Samuel Poncé; Jiali Peng; Aleksander M Ulatowski; Jay B Patel; Adam D Wright; Rebecca L Milot; Hans Kraus; Qianqian Lin; Laura M Herz; Feliciano Giustino; Michael B Johnston

Ultrafast photo-induced phonon hardening due to Pauli blocking in MAPbI3 single-crystal and polycrystalline perovskites Journal Article

Journal of Physics: Materials, 4 (4), pp. 044017, 2021.

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Quasiparticle Band Structure and Phonon-Induced Band Gap Renormalization of the Lead-Free Halide Double Perovskite Cs2InAgCl6

Viet-Anh Ha; George Volonakis; Hyungjun Lee; Marios Zacharias; Feliciano Giustino

Quasiparticle Band Structure and Phonon-Induced Band Gap Renormalization of the Lead-Free Halide Double Perovskite Cs2InAgCl6 Journal Article

The Journal of Physical Chemistry C, 125 (39), pp. 21689-21700, 2021.

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Electronic Structure and Electron-Transport Properties of Three Metal Hexacyanoferrates

Kevin Hurlbutt; Feliciano Giustino; Mauro Pasta; George Volonakis

Electronic Structure and Electron-Transport Properties of Three Metal Hexacyanoferrates Journal Article

Chemistry of Materials, 33 (17), pp. 7067-7074, 2021.

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First-principles study of electron transport in ScN

Sai Mu; Andrew J E Rowberg; Joshua Leveillee; Feliciano Giustino; Chris G Van de Walle

First-principles study of electron transport in ScN Journal Article

Physical Review B, 104 (7), 2021, ISSN: 2469-9969.

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Phonon-Limited Mobility and Electron–Phonon Coupling in Lead-Free Halide Double Perovskites

Joshua Leveillee; George Volonakis; Feliciano Giustino

Phonon-Limited Mobility and Electron–Phonon Coupling in Lead-Free Halide Double Perovskites Journal Article

The Journal of Physical Chemistry Letters, 12 (18), pp. 4474-4482, 2021, (PMID: 33956454).

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Exciton–Phonon Interactions in Monolayer Germanium Selenide from First Principles

Tianlun Allan Huang; Marios Zacharias; Kirk D Lewis; Feliciano Giustino; Sahar Sharifzadeh

Exciton–Phonon Interactions in Monolayer Germanium Selenide from First Principles Journal Article

The Journal of Physical Chemistry Letters, 12 (15), pp. 3802-3808, 2021, (PMID: 33848154).

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Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors

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

Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors Journal Article

The Journal of Physical Chemistry Letters, 12 (14), pp. 3607-3617, 2021, (PMID: 33822630).

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GW band structure of monolayer MoS2 using the SternheimerGW method and effect of dielectric environment

Nourdine Zibouche; Martin Schlipf; Feliciano Giustino

GW band structure of monolayer MoS2 using the SternheimerGW method and effect of dielectric environment Journal Article

Phys. Rev. B, 103 , pp. 125401, 2021.

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Crystallographic, Optical, and Electronic Properties of the Cs2AgBi1–xInxBr6 Double Perovskite: Understanding the Fundamental Photovoltaic Efficiency Challenges

Laura Schade; Suhas Mahesh; George Volonakis; Marios Zacharias; Bernard Wenger; Felix Schmidt; Sameer Vajjala Kesava; Dharmalingam Prabhakaran; Mojtaba Abdi-Jalebi; Markus Lenz; Feliciano Giustino; Giulia Longo; Paolo G Radaelli; Henry J Snaith

Crystallographic, Optical, and Electronic Properties of the Cs2AgBi1xInxBr6 Double Perovskite: Understanding the Fundamental Photovoltaic Efficiency Challenges Journal Article

ACS Energy Letters, 6 (3), pp. 1073-1081, 2021.

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Ruddlesden–Popper-Phase Hybrid Halide Perovskite/Small-Molecule Organic Blend Memory Transistors

Murali Gedda; Emre Yengel; Hendrik Faber; Fabian Paulus; Joshua A Kreß; Ming-Chun Tang; Siyuan Zhang; Christina A Hacker; Prashant Kumar; Dipti R Naphade; Yana Vaynzof; George Volonakis; Feliciano Giustino; Thomas D Anthopoulos

Ruddlesden–Popper-Phase Hybrid Halide Perovskite/Small-Molecule Organic Blend Memory Transistors Journal Article

Advanced Materials, 33 (7), pp. 2003137, 2021.

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2020

Theory and Computation of Hall Scattering Factor in Graphene

Francesco Macheda; Samuel Poncé; Feliciano Giustino; Nicola Bonini

Theory and Computation of Hall Scattering Factor in Graphene Journal Article

Nano Letters, 20 (12), pp. 8861-8865, 2020, (PMID: 33226824).

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Intrinsic quantum confinement in formamidinium lead triiodide perovskite

Adam Wright; George Volonakis; Juliane Borchert; Christopher Davies; Feliciano Giustino; Michael B Johnston; Laura M Herz

Intrinsic quantum confinement in formamidinium lead triiodide perovskite Journal Article

Nature Materials, 19 (11), pp. 1201-1206, 2020.

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Spin waves in metallic iron and nickel measured by soft x-ray resonant inelastic scattering

N B Brookes; D Betto; K Cao; Yi Lu; K Kummer; F Giustino

Spin waves in metallic iron and nickel measured by soft x-ray resonant inelastic scattering Journal Article

Phys. Rev. B, 102 , pp. 064412, 2020.

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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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152 entries « 1 of 8 »