Related papers: Engineering strong magnetoelectricity using a hexa…
We report an experimental and computational study of magnetic and electronic properties of the layered Ru(V) oxide SrRu2O6 (hexagonal, P-3 1m), which shows antiferromagnetic order with a N\'eel temperature of 563(2) K, among the highest for…
Superconducting [(Li(1-x)Fex)OH](Fe(1-y)Liy)Se (x ~ 0.2, y ~ 0.08) was synthesized by hydrothermal methods and structurally characterized by single crystal X-ray diffraction. The crystal structure contains anti-PbO type (Fe(1-y)Liy)Se…
Using density functional calculations, we find that the newly synthesized Ca$_2$FeOsO$_6$ has the high-spin Fe$^{3+}$ ($3d^5$)-Os$^{5+}$ ($5d^3$) state. The octahedral Os$^{5+}$ ion has a large intrinsic exchange splitting, and its…
The alkaline earth binary oxides adopt a simple rocksalt structure and form an important family of compounds because of their large presence in the earth's mantle and their potential use in microelectronic devices. In comparison to the…
Hafnium oxide (HfO2), particularly at low-dimensional scales, exhibits extensive promising applications in ultrahigh density devices like low-power logic and non-volatile memory devices due to its compatibility with current semiconductor…
Multiferroic rare earth manganites attracted recent attention because of the coexistence of different types of magnetic and ferroelectric orders resulting in complex phase diagrams and a wealth of physical phenomena. The coupling and mutual…
Few layers Fe$_3$GeTe$_2$ is currently the only atomically thin ferromagnetic metal, and thus has drawn huge attention in the field of two-dimensional (2D) magnetism. In this paper, we perform a systematic first principle study on the…
Polar metals are defined by the coexistence of metallicity and polar crystal structure. They have potential applications in non-linear optics, ferroelectric devices, and quantum devices. Meanwhile, ferroelectric-ferromagnetic (FE-FM)…
We perform first principles simulations for the structural, elastic and electronic properties of orthorhombic samarium orthoferrite $SmFeO_3$ within the framework of density functional theory. A number of different density functionals, such…
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…
We investigate the electronic structure and the ferroelectric properties of the recently discovered multiferroic ScFeO$_3$ by means of ab-initio calculations. The $3d$ manifold of Fe in the half-filled configuration naturally favors an…
Hematite $\alpha$-Fe$_2$O$_3$ is a $g$-wave altermagnetic material, which has an easy-axis phase and easy-plane weak ferromagnetic phase below and above Morin transition temperature, respectively. The presence of these phases renders it a…
We investigate the electronic, ferroelectric and magnetic properties of KTaO3/PbTiO3 interfaces by using conventional density functional theory (DFT) and advanced DFT such as hybrid functional HSE06. We show that doped holes in valence…
We synthesized a series of GdFe$_{1-x}$Co$_x$AsO polycrystalline samples ($0 \leq x \leq 1$) by using a solid state reaction method and present a systematic study on the physical properties by means of electrical resistivity $\rho(T)$,…
Single crystals of the filled-skutterudite compound NdOs$_4$Sb$_{12}$ have been investigated by means of electrical resistivity, magnetization, and specific heat measurements. The NdOs$_4$Sb$_{12}$ crystals have the LaFe$_4$P$_{12}$-type…
We present a first-principles scheme for computing the magnetoelectric response of multiferroics. We apply our method to BiFeO3 (BFO) and related compounds in which Fe is substituted by other magnetic species. We show that under certain…
The magnetic structure of the double perovskite compound Sr$_2$CuTeO$_6$ was determined from neutron powder diffraction data. This material is magnetically described as an $S\,{=}\,1/2$ quasi-two-dimensional square-lattice Heisenberg model…
Nowdays, multiferroic materials with magnetoelectric coupling have many real-world applications in the fields of novel memory devices. It is challenging is to create multiferroic materials with strongly coupled ferroelectric and…
Ferroelectricity is observed in orthorhombic $HoMnO_3$ and $YMnO_3$ at the magnetic lock-in transitions into an E-type structure or an incommensurate phase with a temperature independent wave vector, respectively. In $HoMnO_3$ the…
The synthesis and physical properties of the double perovskite (DP) compound Ba2CdReO6 with the 5d1 electronic configuration are reported. Three successive phases originating from a spin-orbit-entangled Jeff = 3/2 state, confirmed by the…