Mixing and non-stoichiometry in Fe–Ni–Cr–Zn–O spinel compounds: density functional theory calculations

Nanoscale characterisation of grain boundary oxidation in cold-worked stainless steels

(2012) Karen Kruska et al.   CORROSION SCIENCE

Antiphase domain boundaries at the Fe3O4(001) surface

(2012) Gareth S. Parkinson et al.   PHYSICAL REVIEW B

Cation disorder in MgX2O4(X= Al, Ga, In) spinels from first principles

(2012) Chao Jiang et al.   PHYSICAL REVIEW B

Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides

(2011) Tula R. Paudel et al.   ADVANCED FUNCTIONAL MATERIALS

The Iron Oxides Strike Back: From Biomedical Applications to Energy Storage Devices and Photoelectrochemical Water Splitting

(2011) Pedro Tartaj et al.   ADVANCED MATERIALS

Pressurized water reactor fuel crud and corrosion modeling

(2011) Jeff Deshon et al.   JOM

Universal Electrostatic Origin of Cation Ordering in A2BO4Spinel Oxides

(2011) Vladan Stevanović et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic structure calculations forZnFe2O4

(2011) S. Soliman et al.   PHYSICAL REVIEW B

Sensitivity of the magnetic properties of the ZnCr2O4and MgCr2O4spinels to nonstoichiometry

(2011) S. E. Dutton et al.   PHYSICAL REVIEW B

Formation enthalpies by mixing GGA and GGA+Ucalculations

(2011) Anubhav Jain et al.   PHYSICAL REVIEW B

Ab initio DFT + U predictions of tensile properties of iron oxides

(2010) Peilin Liao et al.   JOURNAL OF MATERIALS CHEMISTRY

Epitaxial strain effects in the spinel ferritesCoFe2O4andNiFe2O4from first principles

(2010) Daniel Fritsch et al.   PHYSICAL REVIEW B

Spinel ferrite nanocrystals embedded inside ZnO: Magnetic, electronic, and magnetotransport properties

(2009) Shengqiang Zhou et al.   PHYSICAL REVIEW B

Thermodynamic modelling of the Cr–Fe–Ni–O system

(2008) Lina Kjellqvist et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Synthesis, structure, and magnetic studies on self-assembled BiFeO3–CoFe2O4 nanocomposite thin films

(2008) R. Muralidharan et al.   JOURNAL OF APPLIED PHYSICS

Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations

(2008) Nicholas J. Mosey et al.   JOURNAL OF CHEMICAL PHYSICS

Temperature dependence of the cation distribution in measured with high temperature neutron diffraction

(2008) F. Bræstrup et al.   JOURNAL OF SOLID STATE CHEMISTRY

Evolution of the bonding mechanism of ZnO under isotropic compression: A first-principles study

(2008) G.C. Zhou et al.   PHYSICA B-CONDENSED MATTER

Influence of oxidation on the spin-filtering properties ofCoFe2O4and the resultant spin polarization

(2008) A. V. Ramos et al.   PHYSICAL REVIEW B

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

Long-range antiferromagnetic interactions inZnFe2O4andCdFe2O4: Density functional theory calculations

(2008) Ching Cheng   PHYSICAL REVIEW B