相关论文: Strain engineering multiferroism in Pnma NaMnF3 fl…
By performing first-principles calculations, we systematically explore the effect of epitaxial strain on the structure and properties of multiferroic TbMnO3. We show that, although the unstrained bulk TbMnO3 displays a non-collinear…
We used first-principles calculations to investigate the existence and origin of the ferroelectric in- stability in the ABF3 fluoro-perovskites. We find that many fluoro-perovskites have a ferroelectric instability in their high symmetry…
Multiferroics where at least two primary ferroic orders are present and coupled in a single system constitute an important class of materials. They attracted special consideration as they present both intriguing fundamental physics problems…
From first-principles calculations, we investigate the structural instabilities of CaMnO$_3$. We point out that, on top of a strong antiferrodistortive instability responsible for its orthorhombic ground-state, the cubic perovskite…
We use symmetry analysis to show that the G, C and A-type antiferromagnetic Pnma perovskites can exhibit magnetoelectric (ME) responses when a ferroelectric instability is induced with epitaxial strain. Using first-principles calculations…
First-principles density-functional calculations reveal a large spin-phonon coupling in cubic SrMnO$_{3}$, with ferromagnetic ordering producing a polar instability. Through combination of this coupling with the strain-polarization coupling…
A current challenge in the field of magnetoelectric multiferroics is to identify systems that allow a controlled tuning of states displaying distinct magnetoelectric responses. Here we show that the multiferroic ground state of the…
We theoretically study origins of the ferroelectricity in the multiferroic phases of the rare-earth (R) Mn perovskites, RMnO3, by constructing a realistic spin model including the spin-phonon coupling, which reproduces the entire…
Multiferroic materials, in which electric polarization and magnetic order coexist and couple, offer rich opportunities for both fundamental discovery and technology. However, multiferroicity remains rare due to conflicting electronic…
Strain engineering is a powerful mean for tuning the various functionalities of ABO3 perovskite oxide thin films. Rare-earth orthoferrite RFeO3 materials such as NdFeO3 (NFO) are of prime interest because of their intriguing magnetic…
Strain is a leading candidate for controlling magnetoelectric coupling in multiferroics. Here, we use x-ray diffraction to study the coupling between magnetic order and structural distortion in epitaxial films of the orthorhombic (o-)…
Using first-principles density functional theory we predict a ferroelectric ground state -- driven by off-centering of the magnetic Mn$^{4+}$ ion -- in perovskite-structure BaMnO$_3$. Our finding is surprising, since the competition between…
Freestanding ferroelectric membranes have emerged as a versatile tool for strain engineering, enabling the exploration of ferroelectric properties beyond traditional epitaxy. The resulting ferroelectric domain patterns stem from the balance…
There has been tremendous research activity in the field of magneto-electric (ME) multiferroics after Kimura et al. [1] showed that antiferromagnetic and ferroelectric order coexist in orthorhom- bically distorted perovskite TbMnO3 and are…
Using first principles calculations, we study the microscopic origin of ferroelectricity (FE) induced by magnetic order in the orthorhombic HoMnO3. We obtain the largest ferroelectric polarization observed in the whole class of improper…
Epitaxial strain has emerged as a powerful tool to tune magnetic and ferroelectric properties in functional materials such as in multiferroic perovskite oxides. Here, we use first-principles calculations to explore the evolution of magnetic…
By means of magnetic, specific heat and pyroelectric measurements, we report on magnetic ferroelectricity in the quadruple perovskite \namno, characterized by a canted antiferromagnetic (AFM) CE structure. Surprisingly, ferroelectricity is…
We present a first principles study of the series of multiferroic barium fluorides with the composition BaMF4, where M is Mn, Fe, Co, or Ni. We discuss trends in the structural, electronic, and magnetic properties, and we show that the…
Strain engineering is widely used to manipulate the electronic and magnetic properties of complex materials. An attractive route to control magnetism with strain is provided by the piezomagnetic effect, whereby the staggered spin structure…
The dependencies on strain and oxygen vacancies of the ferroelectric polarization and the weak ferromagnetic magnetization in the multiferroic material bismuth ferrite, BiFeO_3, are investigated using first principles density functional…