4.6 Article

Method for locating low-energy solutions within DFT plus U

Related references

Note: Only part of the references are listed.
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

Magnetic phase transition in CoO under high pressure: A challenge for LSDA plus U

Wenxu Zhang et al.

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

DFT plus U calculations of the ground state and metastable states of uranium dioxide

Boris Dorado et al.

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

Anisotropy and magnetism in the LSDA plus U method

Erik R. Ylvisaker et al.

PHYSICAL REVIEW B (2009)

Article Physics, Multidisciplinary

Density-Functional Calculations of the Structure of Near-Surface Oxygen Vacancies and Electron Localization on CeO2(111)

M. Veronica Ganduglia-Pirovano et al.

PHYSICAL REVIEW LETTERS (2009)

Article Materials Science, Multidisciplinary

Structural, thermodynamic, and electronic properties of plutonium oxides from first principles

Gerald Jomard et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

γ and β cerium:: LDA+U calculations of ground-state parameters

B. Amadon et al.

PHYSICAL REVIEW B (2008)

Article Physics, Multidisciplinary

Ferromagnetism induced by orbital order in the charge-transfer insulator Cs2AgF4:: An electronic structure study

Deepa Kasinathan et al.

PHYSICAL REVIEW LETTERS (2007)

Article Materials Science, Multidisciplinary

Lattice dynamics of CoO from first principles

U. D. Wdowik et al.

PHYSICAL REVIEW B (2007)

Article Physics, Condensed Matter

Mechanism of the Verwey transition in magnetite: Jahn-Teller distortion and charge ordering patterns

H. P. Pinto et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (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)

Article Materials Science, Multidisciplinary

Spin and orbital magnetic state of UGe2 under pressure -: art. no. 134506

AB Shick et al.

PHYSICAL REVIEW B (2004)

Article Materials Science, Multidisciplinary

First-principles computation of material properties: the ABINIT software project

X Gonze et al.

COMPUTATIONAL MATERIALS SCIENCE (2002)

Article Spectroscopy

Ground and metastable states in γ-Ce from correlated band theory

AB Shick et al.

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA (2001)