A DFT investigation of the role of oxygen vacancies on the structural, electronic and magnetic properties of ATiO3 (A = Mn, Fe, Ni) multiferroic materials

Magnetism and multiferroic properties at MnTiO 3 surfaces: A DFT study

(2018) Renan A.P. Ribeiro et al.   APPLIED SURFACE SCIENCE

Defect chemistry and electrical properties of BiFeO3

(2017) Matthias Schrade et al.   Journal of Materials Chemistry C

Mobile Polaronic States in α-MoO3: An ab Initio Investigation of the Role of Oxygen Vacancies and Alkali Ions

(2016) Hassan A. Tahini et al.   ACS Applied Materials & Interfaces

Manipulation of Magnetic Properties by Oxygen Vacancies in Multiferroic YMnO3

(2016) Shaobo Cheng et al.   ADVANCED FUNCTIONAL MATERIALS

Structure and Properties of Zirconia Nanoparticles from Density Functional Theory Calculations

(2016) Antonio Ruiz Puigdollers et al.   Journal of Physical Chemistry C

A van der Waals Density Functional Study of MoO3 and Its Oxygen Vacancies

(2016) Katherine Inzani et al.   Journal of Physical Chemistry C

Domain-wall conduction in ferroelectric BiFeO3 controlled by accumulation of charged defects

(2016) Tadej Rojac et al.   NATURE MATERIALS

The role of exchange–correlation functional on the description of multiferroic properties using density functional theory: the ATiO3 (A = Mn, Fe, Ni) case study

(2016) Renan Augusto Pontes Ribeiro et al.   RSC Advances

A large red-shift in the photoluminescence emission of Mg 1−x Sr x TiO 3

(2015) Mayumi M. Nakata et al.   CHEMICAL PHYSICS LETTERS

Fundamentals of Multiferroic Materials and Their Possible Applications

(2015) Melvin M. Vopson   CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES

Correlated Visible-Light Absorption and Intrinsic Magnetism of SrTiO3 Due to Oxygen Deficiency: Bulk or Surface Effect?

(2015) Heechae Choi et al.   INORGANIC CHEMISTRY

Electronic structure and magnetism of new ilmenite compounds for spintronic devices: FeBO 3 (B = Ti, Hf, Zr, Si, Ge, Sn)

(2015) R.A.P. Ribeiro et al.   JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

Multiferroic Domain Walls in Ferroelectric PbTiO3 with Oxygen Deficiency

(2015) Tao Xu et al.   NANO LETTERS

Thermodynamic properties of neutral and charged oxygen vacancies in BaZrO3 based on first principles phonon calculations

(2015) Tor S. Bjørheim et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fingerprints of short-range and long-range structure in BaZr1−xHfxO3 solid solutions: an experimental and theoretical study

(2015) Rafael Uarth Fassbender et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanical control of magnetism in oxygen deficient perovskite SrTiO3

(2015) Yajun Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multiferroic Vacancies at FerroelectricPbTiO3Surfaces

(2015) Takahiro Shimada et al.   PHYSICAL REVIEW LETTERS

CRYSTAL14: A program for theab initioinvestigation of crystalline solids

(2014) Roberto Dovesi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Electronic, magnetic and multiferroic properties of magnetoelectric NiTiO3

(2014) Chao Xin et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model

(2014) Yanlu Li et al.   JOURNAL OF CHEMICAL PHYSICS

Measuring the Dzyaloshinskii–Moriya interaction in a weak ferromagnet

(2014) V. E. Dmitrienko et al.   Nature Physics

Covalent effects in magnetic ferroelectrics MnMO3(M = Ti, Sn)

(2014) Xianfeng Hao et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

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

(2014) R. A. P. Ribeiro et al.   RSC Advances

Photocatalytic activity of semiconductor sulfide heterostructures

(2013) Cristiane W. Raubach et al.   DALTON TRANSACTIONS

Why Are There So Few Perovskite Ferroelectrics?

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

Weak ferromagnetism and domain effects in multiferroic LiNbO3-type MnTiO3-II

(2013) Angel M. Arévalo-López et al.   PHYSICAL REVIEW B

Hybrid Hartree-Fock density functional study of charged point defects in ferroelectric PbTiO3

(2013) Takahiro Shimada et al.   PHYSICAL REVIEW B

Oxygen-Vacancy-Induced Antiferromagnetism to Ferromagnetism Transformation in Eu0.5Ba0.5TiO3−δ Multiferroic Thin Films

(2013) Weiwei Li et al.   Scientific Reports

Intrinsic defects in multiferroic BiFeO3and their effect on magnetism

(2012) Tula R. Paudel et al.   PHYSICAL REVIEW B

Magnetoelectric coupling in MnTiO3

(2011) N. Mufti et al.   PHYSICAL REVIEW B

Room-temperature ferromagnetic/ferroelectric BiFeO3 synthesized by a self-catalyzed fast reaction process

(2010) Jiangtao Wu et al.   JOURNAL OF MATERIALS CHEMISTRY

Density-functional characterization of antiferromagnetism in oxygen-deficient anatase and rutileTiO2

(2010) Kesong Yang et al.   PHYSICAL REVIEW B

Multiferroics: Past, present, and future

(2010) Nicola A. Spaldin et al.   PHYSICS TODAY

Physics and Applications of Bismuth Ferrite

(2009) Gustau Catalan et al.   ADVANCED MATERIALS

Reduced and n-Type Doped TiO2: Nature of Ti3+ Species

(2009) Cristiana Di Valentin et al.   Journal of Physical Chemistry C

Origin of magnetic moments in defectiveTiO2single crystals

(2009) Shengqiang Zhou 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

Ferroelectrically Induced Weak Ferromagnetism by Design

(2008) Craig J. Fennie   PHYSICAL REVIEW LETTERS