A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4

Switchable Fermi surface sheets in greigite

(2012) B. Zhang et al.   PHYSICAL REVIEW B

A density functional theory study of structural, mechanical and electronic properties of crystalline phosphorus pentoxide

(2011) Richard I. Ainsworth et al.   JOURNAL OF CHEMICAL PHYSICS

The Curie temperature and magnetic exchange energy in half-metallic greigite Fe3S4

(2011) Jun Wang et al.   PHYSICA SCRIPTA

Magnetic structure of greigite (Fe3S4) probed by neutron powder diffraction and polarized neutron diffraction

(2009) Liao Chang et al.   JOURNAL OF GEOPHYSICAL RESEARCH

Electronic and magnetic structure ofFe3S4:GGA+Uinvestigation

(2009) A. J. Devey et al.   PHYSICAL REVIEW B

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

Fundamental magnetic parameters from pure synthetic greigite (Fe3S4)

(2008) Liao Chang et al.   JOURNAL OF GEOPHYSICAL RESEARCH

Combined Density Functional Theory and Interatomic Potential Study of the Bulk and Surface Structures and Properties of the Iron Sulfide Mackinawite (FeS)

(2008) A. J. Devey et al.   Journal of Physical Chemistry C

Elastic properties of quaternary oxypnictides LaOFeAs and LaOFeP as basic phases for new 26–52K superconducting materials from first principles

(2008) I.R. Shein et al.   SCRIPTA MATERIALIA