4.6 Article

Post density functional theoretical studies of highly polar semiconductive Pb(Ti1-xNix)O3-x solid solutions: Effects of cation arrangement on band gap

Related references

Note: Only part of the references are listed.
Article Materials Science, Multidisciplinary

Pb-free semiconductor ferroelectrics: A theoretical study of Pd-substituted Ba(Ti1-xCex)O3 solid solutions

Joseph W. Bennett et al.

PHYSICAL REVIEW B (2010)

Article Physics, Applied

Photovoltaic effects in BiFeO3

S. Y. Yang et al.

APPLIED PHYSICS LETTERS (2009)

Article Physics, Condensed Matter

Re-examination of half-metallic ferromagnetism for doped LaMnO3 in a quasiparticle self-consistent GW method

Takao Kotani et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (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

Electronic structure of perovskite-type transition metal oxides LaMO3 (M=Ti∼Cu) by U plus GW approximation

Yoshiro Nohara et al.

PHYSICAL REVIEW B (2009)

Article Materials Science, Multidisciplinary

Effect of substituting of S for O: The sulfide perovskite BaZrS3 investigated with density functional theory

Joseph W. Bennett et al.

PHYSICAL REVIEW B (2009)

Article Multidisciplinary Sciences

Switchable Ferroelectric Diode and Photovoltaic Effect in BiFeO3

T. Choi et al.

SCIENCE (2009)

Article Physics, Applied

Photoconductivity in BiFeO3 thin films

S. R. Basu et al.

APPLIED PHYSICS LETTERS (2008)

Article Chemistry, Multidisciplinary

New Highly Polar Semiconductor Ferroelectrics through d8 Cation-O Vacancy Substitution into PbTiO3: A Theoretical Study

Joseph W. Bennett et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Materials Science, Multidisciplinary

LiNbO3 ground- and excited-state properties from first-principles calculations

W. G. Schmidt et al.

PHYSICAL REVIEW B (2008)

Article Physics, Multidisciplinary

Band offsets at semiconductor-oxide interfaces from hybrid density-functional calculations

Audrius Alkauskas et al.

PHYSICAL REVIEW LETTERS (2008)

Article Physics, Applied

Growth and characterization of transparent Pb(Zi,Ti)O3 capacitor on glass substrate

K. K. Uprety et al.

JOURNAL OF APPLIED PHYSICS (2007)

Article Physics, Multidisciplinary

NiO: Correlated band structure of a charge-transfer insulator

J. Kunes et al.

PHYSICAL REVIEW LETTERS (2007)

Article Materials Science, Multidisciplinary

Effect of self-consistency on quasiparticles in solids

Fabien Bruneval et al.

PHYSICAL REVIEW B (2006)

Article Chemistry, Physical

Screened hybrid density functionals applied to solids -: art. no. 154709

J Paier et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Materials Science, Multidisciplinary

Character of the insulating state in NiO: A mixture of charge-transfer and Mott-Hubbard character

TM Schuler et al.

PHYSICAL REVIEW B (2005)

Article Materials Science, Multidisciplinary

First-principles study of spontaneous polarization in multiferroic BiFeO3

JB Neaton et al.

PHYSICAL REVIEW B (2005)

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

The electronic structures of the thin films of InVO4 and TiO2 by first principles calculations

M Oshikiri et al.

THIN SOLID FILMS (2003)

Article Multidisciplinary Sciences

Epitaxial BiFeO3 multiferroic thin film heterostructures

J Wang et al.

SCIENCE (2003)

Article Materials Science, Multidisciplinary

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

X Gonze et al.

COMPUTATIONAL MATERIALS SCIENCE (2002)

Article Physics, Condensed Matter

Barrier photovoltaic effects in PZT ferroelectric thin films

VK Yarmarkin et al.

PHYSICS OF THE SOLID STATE (2000)