Efficient ab initio calculations of electron-defect scattering and defect-limited carrier mobility

Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in SrTiO3 Perovskite from First Principles

(2018) Jin-Jian Zhou et al.   PHYSICAL REVIEW LETTERS

Ultrafast Hot Carrier Dynamics in GaN and Its Impact on the Efficiency Droop

(2017) Vatsal A. Jhalani et al.   NANO LETTERS

Exceptionally Strong Phonon Scattering by B Substitution in Cubic SiC

(2017) Ankita Katre et al.   PHYSICAL REVIEW LETTERS

Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg3Sb2-based materials

(2017) Jun Mao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Disorder enabled band structure engineering of a topological insulator surface

(2017) Yishuai Xu et al.   Nature Communications

Charge-Carrier Mobilities in Metal Halide Perovskites: Fundamental Mechanisms and Limits

(2017) Laura M. Herz   ACS Energy Letters

Charge transport and mobility engineering in two-dimensional transition metal chalcogenide semiconductors

(2016) Song-Lin Li et al.   CHEMICAL SOCIETY REVIEWS

First-principles dynamics of electrons and phonons*

(2016) Marco Bernardi   EUROPEAN PHYSICAL JOURNAL B

Theory of inelastic multiphonon scattering and carrier capture by defects in semiconductors: Application to capture cross sections

(2015) Georgios D. Barmparis et al.   PHYSICAL REVIEW B

Ab initio study of hot electrons in GaAs

(2015) Marco Bernardi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Large Seebeck effect by charge-mobility engineering

(2015) Peijie Sun et al.   Nature Communications

Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals

(2015) Marco Bernardi et al.   Nature Communications

An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions

(2014) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS

Electron–Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene

(2014) Cheol-Hwan Park et al.   NANO LETTERS

Electrostatics-based finite-size corrections for first-principles point defect calculations

(2014) Yu Kumagai et al.   PHYSICAL REVIEW B

Ab InitioStudy of Hot Carriers in the First Picosecond after Sunlight Absorption in Silicon

(2014) Marco Bernardi et al.   PHYSICAL REVIEW LETTERS

Mobility engineering and a metal–insulator transition in monolayer MoS2

(2013) Branimir Radisavljevic et al.   NATURE MATERIALS

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

First-principles investigation of the alloy scattering potential in dilute Si1−xCx

(2012) M. P. Vaughan et al.   PHYSICAL REVIEW B

Single dopants in semiconductors

(2011) Paul M. Koenraad et al.   NATURE MATERIALS

Graphene Valley Filter Using a Line Defect

(2011) D. Gunlycke et al.   PHYSICAL REVIEW LETTERS

Electronic transport in polycrystalline graphene

(2010) Oleg V. Yazyev et al.   NATURE MATERIALS

Charge carrier scattering by defects in semiconductors

(2010) Vincenzo Lordi et al.   PHYSICAL REVIEW B

Cluster scattering effects on phonon conduction in graphene

(2010) Natalio Mingo et al.   PHYSICAL REVIEW B

First-principles calculations of electron mobilities in silicon: Phonon and Coulomb scattering

(2009) O. D. Restrepo et al.   APPLIED PHYSICS LETTERS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

(2008) Stephan Lany et al.   PHYSICAL REVIEW B