4.5 Article

GW quasiparticle bandgaps of anatase TiO2 starting from DFT plus U

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

Structural and Electronic Properties of Semiconductor-Sensitized Solar-Cell Interfaces

Christopher E. Patrick et al.

ADVANCED FUNCTIONAL MATERIALS (2011)

Review Chemistry, Multidisciplinary

Theoretical studies of dye-sensitised solar cells: from electronic structure to elementary processes

Natalia Martsinovich et al.

ENERGY & ENVIRONMENTAL SCIENCE (2011)

Article Chemistry, Physical

DFT plus U calculations of crystal lattice, electronic structure, and phase stability under pressure of TiO2 polymorphs

M. E. Arroyo-de Dompablo et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO2 in Dye-Sensitized Solar Cell Models

Filippo De Angelis et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2011)

Article Chemistry, Physical

Photoemission Study of Azobenzene and Aniline Adsorbed on TiO2 Anatase (101) and Rutile (110) Surfaces

Shao-Chun Li et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2011)

Article Materials Science, Multidisciplinary

G0W0 band gap of ZnO: Effects of plasmon-pole models

M. Stankovski et al.

PHYSICAL REVIEW B (2011)

Article Materials Science, Multidisciplinary

O 1s core-level shifts at the anatase TiO2(101)/N3 photovoltaic interface: Signature of H-bonded supramolecular assembly

Christopher E. Patrick et al.

PHYSICAL REVIEW B (2011)

Article Materials Science, Multidisciplinary

First-principles modeling of localized d states with the GW@LDA+U approach

Hong Jiang et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Self-energy and excitonic effects in the electronic and optical properties of TiO2 crystalline phases

Letizia Chiodo et al.

PHYSICAL REVIEW B (2010)

Article Materials Science, Multidisciplinary

Quasiparticle and optical properties of rutile and anatase TiO2

Wei Kang et al.

PHYSICAL REVIEW B (2010)

Article Physics, Multidisciplinary

Electron-Phonon Renormalization of the Direct Band Gap of Diamond

Feliciano Giustino et al.

PHYSICAL REVIEW LETTERS (2010)

Article Computer Science, Interdisciplinary Applications

SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation

Layla Martin-Samos et al.

COMPUTER PHYSICS COMMUNICATIONS (2009)

Review Physics, Condensed Matter

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

Paolo Giannozzi et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)

Article Materials Science, Multidisciplinary

GW quasiparticle corrections to the LDA+U/GGA+U electronic structure of bcc hydrogen

Emmanouil Kioupakis et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Calculations of strain-modified anatase TiO2 band structures

Lukas Thulin et al.

PHYSICAL REVIEW B (2008)

Article Physics, Multidisciplinary

Ab initio finite-temperature excitons

Andrea Marini

PHYSICAL REVIEW LETTERS (2008)

Article Materials Science, Multidisciplinary

Effect of self-consistency on quasiparticles in solids

Fabien Bruneval et al.

PHYSICAL REVIEW B (2006)

Article Physics, Multidisciplinary

Quasiparticle self-consistent GW theory

M. van Schilfgaarde et al.

PHYSICAL REVIEW LETTERS (2006)

Article Materials Science, Multidisciplinary

Linear response approach to the calculation of the effective interaction parameters in the LDA+U method

M Cococcioni et al.

PHYSICAL REVIEW B (2005)

Review Physics, Multidisciplinary

Electronic excitations: density-functional versus many-body Green's-function approaches

G Onida et al.

REVIEWS OF MODERN PHYSICS (2002)