Related papers: Multiferroic Bi$_2$NiMnO$_6$ Thin Films: A Computa…
While nature provides a plethora of perovskite materials, only a few exhibits large ferroelectricity and possibly multiferroicity. The majority of perovskite materials have the non-polar CaTiO$_3$(CTO)structure, limiting the scope of their…
Some of the Multiferroics [1] form a rare class of materials that exhibit magnetoelectric coupling arising from the coexistence of ferromagnetism and ferroelectricity, with potential for many technological applications.[2,3] Over the last…
Whereas ferroelectricity may vanish in ultra-thin ferroelectric films, it is expected to emerge in ultra-thin anti-ferroelectric films, sparking people's interest in using antiferroelectric materials as an alternative to ferroelectric ones…
We put forward double perovskites of the R$_2$NiMnO$_6$ family (with $R$ a rare-earth atom) as a new class of multiferroics on the basis of {\it ab initio} density functional calculations. We show that changing $R$ from La to Y drives the…
We predict through our first-principles calculations that four double perovskite oxides of Bi2ABO6 (AB = FeMo, MnMo, MnOs, CrOs) are half-metallic ferrimagnets. Our calculated results shows that the four optimized structures have negative…
Aurivillius ferroelectric $Bi_2WO_6$ (BWO) encompasses a broad range of functionalities, including robust fatigue-free ferroelectricity, high photocatalytic activity, and ionic conductivity. Despite these promising characteristics, an…
Room-temperature ferromagnetism is observed in (110) oriented ZnO films containing 5 at % of Sc, Ti, V, Fe, Co or Ni, but not Cr, Mn or Cu ions. There are large moments, 1.9 and 0.5 muB/atom for Co- and Ti-substituted oxides, respectively.…
Pyroxenes with the general formula $AM$Si$_2$O$_6$ ($A$ = mono- or divalent metal, $M$ = di- or trivalent metal) are shown to be a new class of multiferroic materials. In particular, we have found so far that NaFeSi$_2$O$_6$ becomes…
The Mn-Bi-Te family displaying magnetism and non-trivial topological properties has received extensive attention. Here, we predict that the antiferromagnetic structure of Mn$_{3}$Bi$_{2}$Te$_{6}$ with three MnTe layers is energetically…
We have combined neutron scattering and piezoresponse force microscopy to study the relation between the exchange bias observed in CoFeB/BiFeO3 heterostructures and the multiferroic domain structure of the BiFeO3 films. We show that the…
Double-perovskite A2BB'O6 oxides with magnetic B and B' ions and E*-type antiferromagnetic order (E*-AFM, i.e. the ++-- structure) are believed to exhibit promising multiferroic properties, and Y2CoMnO6 (YCMO) is one candidate in this…
Ferroelectric materials are interesting candidates for future photovoltaic applications due to their potential to overcome the fundamental limits of conventional single bandgap semiconductor-based solar cells. Although a more efficient…
Ferroelectricity can exist in elemental phases as a result of charge transfers between atoms occupying inequivalent Wyckoff positions. We investigate the emergence of ferroelectricity in two-dimensional elemental materials with buckled…
Since the discovery of ferroelectricity in HfO$_2$ thin films, significant research has focused on Zr-doped HfO$_2$ and solid solution (Hf,Zr)O$_2$ thin films. Functional properties can be further tuned via multilayering, however, this…
Recently, we predicted based on symmetry considerations that KMnFeF$_{6}$ and Ba$_{2}$Ni$_{7}$F$_{18}$ are likely magnetoelectric multiferroic materials. In this contribution, we investigate with Landau theory and crystal structure…
Recent studies have reported the existence of an epitaxially-stabilized tetragonal-like ('T-like') monoclinic phase in BiFeO3 thin-films with high levels of compressive strain. While their structural and ferroelectric properties are…
Ferroelectricity-the switchable intrinsic electric polarization-has not yet been attained in a metal experimentally and is in fact generally deemed irreconcilable with free carriers, although polar metal has been achieved recently.…
We measure the remnant polarization of ferroelectric domains in BiFeO3 films down to 3.6 nm using low energy electron and photoelectron emission microscopy. The measured polarization decays strongly below a critical thickness of 5-7 nm…
Motivated by the recently discovered superconductivity in Sr-doped nickelate oxides NdNiO$_2$, we predict a material BiNiO$_2$ that provides an opportunity to study the intertwined ferroelectricity, metallicity, and magnetism in a crystal…
Metastable manganite perovskites displaying the antiferromagnetic so-called E-phase are predicted to be multiferroic. Due to the need of high-pressures for the synthesis of this phase, this prediction has only been confirmed in bulk HoMnO3.…