Structural, electronic and elastic properties of FeBO3 (B = Ti, Sn, Si, Zr) ilmenite: a density functional theory study

Theoretical study of stability and electronic structure of the new type of ferroelectric materials XSnO3 (X = Mn, Zn, Fe, Mg)

(2014) Wei-Ling Zhu et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

Peroxide defect formation in zirconate perovskites

(2014) S. C. Middleburgh et al.   Journal of Materials Chemistry A

Orbital structure of FeTiO3 ilmenite investigated with polarization-dependent X-ray absorption spectroscopy and band structure calculations

(2013) S. W. Chen et al.   APPLIED PHYSICS LETTERS

Ab initio study of structural, electronic and thermodynamic properties of tungstate double perovskites Ba2MWO6 (M=Mg, Ni, Zn)

(2013) O. Sahnoun et al.   COMPUTATIONAL MATERIALS SCIENCE

Influences of the Amorphous Phase on Local Structures and Properties of Ferroelectric Thin Films

(2013) Xiao-Pei Hu et al.   FERROELECTRICS

STRUCTURAL, ELASTIC, ELECTRONIC, CHEMICAL BONDING AND OPTICAL PROPERTIES OF M2Se (M = Li, Na, K, Rb) THROUGH FIRST PRINCIPLE STUDY

(2013) ROSHAN ALI et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS B

A first-principles study on the structural, elastic, electronic, optical, lattice dynamical, and thermodynamic properties of zinc-blende CdX (X= S, Se, and Te)

(2013) Lei Guo et al.   JOURNAL OF ALLOYS AND COMPOUNDS

First principles study the stability and mechanical properties of MC (M=Ti, V, Zr, Nb, Hf and Ta) compounds

(2013) YangZhen Liu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Structural, electronic, and magnetic properties of double perovskite Pb2CrMO6 (M=Mo, W and Re) from first-principles investigation

(2013) S. Gong et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Why Are There So Few Perovskite Ferroelectrics?

(2013) Nicole A. Benedek et al.   Journal of Physical Chemistry C

Influence of structural disorder on magnetic domain formation in perpendicular anisotropy thin films

(2013) M. S. Pierce et al.   PHYSICAL REVIEW B

Phase transitions, micro-morphology and its oxidation mechanism in oxidation of ilmenite (FeTiO3) powder

(2013) Wei XIAO et al.   TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA

Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculations

(2012) Michael F. Peintinger et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Nano-ilmenite FeTiO3: Synthesis and characterization

(2012) A.T. Raghavender et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

High-pressure synthesis, crystal structure and magnetic property of ilmenite-type FeGeO3

(2012) Daisuke Nakatsuka et al.   JOURNAL OF SOLID STATE CHEMISTRY

First-principles investigation of Fe-doped MgSiO3-ilmenite

(2012) Arvids Stashans et al.   PHYSICA B-CONDENSED MATTER

High-Pressure Synthesis and Correlation between Structure, Magnetic, and Dielectric Properties in LiNbO3-Type MnMO3(M = Ti, Sn)

(2011) Akihisa Aimi et al.   INORGANIC CHEMISTRY

Ilmenite FeTiO3 Nanoflowers and Their Pseudocapacitance

(2011) Tao Tao et al.   Journal of Physical Chemistry C

First-principle calculations to investigate the elastic and thermodynamic properties ofRBRh3(R = Sc, Y and La) perovskite compounds

(2011) F. Litimein et al.   MOLECULAR PHYSICS

Ilmenite (0001) surface investigated using hybrid density functional theory

(2011) Nicholas C. Wilson et al.   PHYSICAL REVIEW B

The thermal equation of state of FeTiO3 ilmenite based on in situ X-ray diffraction at high pressures and temperatures

(2010) E. J. Tronche et al.   AMERICAN MINERALOGIST

Basis set dependence of atomic spin populations

(2010) Jordan J. Philips et al.   CHEMICAL PHYSICS LETTERS

First-principles study on mechanical and magnetic properties of the perovskite and post-perovskite polymorphs of pure end-member FeSiO3at the core–mantle boundary

(2010) Yumei Yan et al.   HIGH PRESSURE RESEARCH

Novel mechanochemical synthesis of fine FeTiO3 nanoparticles by a high-speed ball-milling process

(2010) Satoshi Ohara et al.   JOURNAL OF ALLOYS AND COMPOUNDS

First-principles calculations for elastic and electronic properties of ZnSnO3 under pressure

(2010) Ni-Na Ge et al.   PHYSICA B-CONDENSED MATTER

Heterojunction of FeTiO3 Nanodisc and TiO2 Nanoparticle for a Novel Visible Light Photocatalyst

(2009) Yong Joo Kim et al.   Journal of Physical Chemistry C

Heteroepitaxial Ferroelectric ZnSnO3Thin Film

(2009) Jong Yeog Son et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iron oxidation state ofFeTiO3under high pressure

(2009) X. Wu et al.   PHYSICAL REVIEW B

Coexistence of Weak Ferromagnetism and Ferroelectricity in the High PressureLiNbO3-Type Phase ofFeTiO3

(2009) T. Varga et al.   PHYSICAL REVIEW LETTERS

Modelling of Al impurity in perovskite and ilmenite structures of MgSiO3

(2009) Arvids Stashans et al.   PHYSICS AND CHEMISTRY OF MINERALS

A Polar Oxide ZnSnO3with a LiNbO3-Type Structure

(2008) Yoshiyuki Inaguma et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Screened hybrid density functionals for solid-state chemistry and physics

(2008) Benjamin G. Janesko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ferroelectrically Induced Weak Ferromagnetism by Design

(2008) Craig J. Fennie   PHYSICAL REVIEW LETTERS

Comparative Raman spectroscopic study on ilmenite-type MgSiO3 (akimotoite), MgGeO3, and MgTiO3 (geikielite) at high temperatures and high pressures

(2007) T. Okada et al.   AMERICAN MINERALOGIST