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

The PseudoDojo : Training and grading a 85 element optimized norm-conserving pseudopotential table

(2018) M.J. van Setten et al.   COMPUTER PHYSICS COMMUNICATIONS

Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon

(2018) D. S. Kim et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First-principles dynamics of electrons and phonons*

(2016) Marco Bernardi   EUROPEAN PHYSICAL JOURNAL B

Scalable water splitting on particulate photocatalyst sheets with a solar-to-hydrogen energy conversion efficiency exceeding 1%

(2016) Qian Wang et al.   NATURE MATERIALS

Phonon transport in perovskite SrTiO3from first principles

(2015) Lei Feng et al.   Applied Physics Express

Electrical transport limited by electron-phonon coupling from Boltzmann transport equation: Anab initiostudy of Si, Al, andMoS2

(2015) Wu Li   PHYSICAL REVIEW B

Self-consistent phonon calculations of lattice dynamical properties in cubicSrTiO3with first-principles anharmonic force constants

(2015) Terumasa Tadano et al.   PHYSICAL REVIEW B

Wannier interpolation of the electron-phonon matrix elements in polar semiconductors: Polar-optical coupling in GaAs

(2015) J. Sjakste et al.   PHYSICAL REVIEW B

Fröhlich Electron-Phonon Vertex from First Principles

(2015) Carla Verdi et al.   PHYSICAL REVIEW LETTERS

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

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

First-principles study of the mobility ofSrTiO3

(2014) Burak Himmetoglu et al.   PHYSICAL REVIEW B

Intrinsic Mobility Limiting Mechanisms in Lanthanum-Doped Strontium Titanate

(2014) Amit Verma et al.   PHYSICAL REVIEW LETTERS

La-doped SrTiO3 films with large cryogenic thermoelectric power factors

(2013) Tyler A. Cain et al.   APPLIED PHYSICS LETTERS

Temperature dependent effective potential method for accurate free energy calculations of solids

(2013) Olle Hellman et al.   PHYSICAL REVIEW B

Optimized norm-conserving Vanderbilt pseudopotentials

(2013) D. R. Hamann   PHYSICAL REVIEW B

Temperature-dependent effective third-order interatomic force constants from first principles

(2013) Olle Hellman et al.   PHYSICAL REVIEW B

Emergent phenomena at oxide interfaces

(2012) H. Y. Hwang et al.   NATURE MATERIALS

Mixed-space approach for calculation of vibration-induced dipole-dipole interactions

(2012) Yi Wang et al.   PHYSICAL REVIEW B

Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities

(2011) A. Janotti et al.   PHYSICAL REVIEW B

Lattice dynamics of anharmonic solids from first principles

(2011) O. Hellman et al.   PHYSICAL REVIEW B

The cubic to tetragonal phase transition in SrTiO3 single crystals near its surface under internal and external strains

(2010) R. Loetzsch et al.   APPLIED PHYSICS LETTERS

Structure and correlation effects in semiconductingSrTiO3

(2010) Young Jun Chang et al.   PHYSICAL REVIEW B

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

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

Ab initio calculations of phonon spectra in ATiO3 perovskite crystals (A = Ca, Sr, Ba, Ra, Cd, Zn, Mg, Ge, Sn, Pb)

(2009) A. I. Lebedev   PHYSICS OF THE SOLID STATE

Fröhlich polaron and bipolaron: recent developments

(2009) Jozef T Devreese et al.   REPORTS ON PROGRESS IN PHYSICS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Electron-Phonon Interaction and Charge Carrier Mass Enhancement inSrTiO3

(2008) J. L. M. van Mechelen et al.   PHYSICAL REVIEW LETTERS