Antiphase domain boundaries at the Fe3O4(001) surface

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

(2011) Pedro Tartaj et al.   ADVANCED MATERIALS

Methods for Computing Accurate Atomic Spin Moments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials

(2011) Thomas A. Manz et al.   Journal of Chemical Theory and Computation

Room Temperature Water Splitting at the Surface of Magnetite

(2011) Gareth S. Parkinson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ab initioInvestigations of Fe2+/Fe3+Bond Dimerization and Ferroelectricity Induced by Intermediate Site/Bond-Centered Charge Ordering in Magnetite

(2011) Tetsuya Fukushima et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Charge order and three-site distortions in the Verwey structure of magnetite

(2011) Mark S. Senn et al.   NATURE

Positive antiphase boundary domain wall magnetoresistance in Fe3O4(110) heteroepitaxial films

(2011) R. G. S. Sofin et al.   PHYSICAL REVIEW B

Structural transformation in magnetite below the Verwey transition

(2011) Javier Blasco et al.   PHYSICAL REVIEW B

A metastable Fe(A) termination at the Fe3O4(001) surface

(2011) Gareth S. Parkinson et al.   SURFACE SCIENCE

Structural manifestation of the delocalization error of density functional approximations: C4N+2 rings and C20 bowl, cage, and ring isomers

(2010) Tim Heaton-Burgess et al.   JOURNAL OF CHEMICAL PHYSICS

Chemically Meaningful Atomic Charges That Reproduce the Electrostatic Potential in Periodic and Nonperiodic Materials

(2010) Thomas A. Manz et al.   Journal of Chemical Theory and Computation

Coverage-Dependent Adsorption Mode of Water on Fe3O4(001): Insights from First Principles Calculations

(2010) Narasimham Mulakaluri et al.   Journal of Physical Chemistry C

Semiconductor–half metal transition at theFe3O4(001)surface upon hydrogen adsorption

(2010) Gareth S. Parkinson et al.   PHYSICAL REVIEW B

Is the Verwey transition in Fe3O4magnetite driven by a Peierls distortion?

(2009) Vladimir V Shchennikov et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ferroelectricity in multiferroic magnetiteFe3O4driven by noncentrosymmetricFe2+/Fe3+charge-ordering: First-principles study

(2009) Kunihiko Yamauchi et al.   PHYSICAL REVIEW B

Partial Dissociation of Water onFe3O4(001): Adsorbate Induced Charge and Orbital Order

(2009) Narasimham Mulakaluri et al.   PHYSICAL REVIEW LETTERS

A combined DFT/LEED-approach for complex oxide surface structure determination: Fe3O4(001)

(2008) R. Pentcheva et al.   SURFACE SCIENCE