相关论文: GdWN$_3$ is a Nitride Perovskite
Bulk BiMnO$_3$ is the only transition-metal perovskite oxide that is insulating and shows strong ferromagnetism. This distinctive behavior would make it a promising candidate as a magnetoelectric multiferroic if it was also a polar…
Mn-based nitrides with antiperovskite structures have several properties that can be utilised for antiferromagnetic spintronics. Their magnetic properties depend on the structural quality, composition and doping of the cubic antiperovskite…
Inorganic metal-halide cubic perovskite semiconductors have become more popular in industrial applications of photovoltaic and optoelectronic devices. Among various perovskites, lead-free materials are currently most explored due to their…
In the rapidly progressing field of organometal halide perovskites, the dimensional reduction could open up new opportunities for device applications. Herein, taking the recently synthesized trimethylsulfonium lead triiodide…
We have synthesized a new superconductor ZnNyNi3 with Tc ~3 K. The crystal structure has the same anti-perovskite-type such as MgCNi3 and CdCNi3. As far as we know, this is the third superconducting material in Ni-based anti-perovskite…
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.…
Metal halide perovskites are an emerging class of crystalline semiconductors of great interest for application in optoelectronics. Their properties are dictated not only by their composition, but also by their crystalline structure and…
The electronic, elastic, structural, thermoelectric and optical parameters of the Pb-based cubic perovskites $PbREO_3\; (RE=Ce,\; Gd,\; Nd)$ were calculated using the WIEN2k Package. The mechanical optimization and structural stabilities…
Although discovery in hydrogen induced electronic transition within perovskite family of rare-earth nickelate (ReNiO3) opens up a new paradigm in exploring both the new materials functionality and device applications, the existing research…
The structure and ground state electronic structure of the recently synthesized SrPdO$_3$ perovskite [A. Galal {\em et al.}, J. Power Sources, {\bf 195}, 3806 (2010)] have been studied by means of screened hybrid functional and the GW…
The past several years has witnessed a surge of interest in organometallic trihalide perovskites, which are at the heart of the new generation of solid-state solar cells. Here, we calculated the static conductivity of charged domain walls…
Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable inorganic materials. Metastable materials represent a new…
The rare-earth perovskite TbScO$_3$ has been widely used as a substrate for the growth of epitaxial ferroelectric and multiferroic thin films, while its detailed low-temperature magnetic properties were rarely reported. In this paper, we…
Here, the first-principles predictions on the structural stability, magnetic behavior and electronic structure of B-site ordered double perovskite Nd$_{2}$FeCrO$_{6}$ have been reported. Initially, the ground state of the parent single…
Herein, we present a detailed study of the structural, optical, and electrochemical responses of Gd$_2$O$_3$ doped with nickel zinc ferrite nanoparticles. Doping of Ni$_{0.5}$Zn$_{0.5}$Fe$_2$O$_4$ nanoparticles to Gd$_2$O$_3$ powder was…
Amorphous materials offer unique functional characteristics, which are often not observed in their crystalline counterparts. This makes them invaluable for many technological applications, such as diffusion barriers in semiconductor…
We report the time dependent response of electrical resistivity in the non-magnetic perovskite oxide NdNiO$_3$ in its phase separated state and provide a physical explanation of the observations. We also model the system and do an accurate…
Perovskite-type iron oxides with Fe4+ ions have attracted much attention for their versatile helimagnetic phases. While the introduction of a layered A-site ordered structure to AFeO3 with Fe4+ ions potentially lead to novel helimagnetic…
Materials with low work functions are critical for an array of applications requiring the facile removal or efficient transport of electrons through a device. Perovskite oxides are a promising class of materials for finding low work…
Layered perovskites are a versatile class of ferroelectrics with their structural anisotropy reflected in unusual electrostatics that give rise to exceptional ferroelectric properties. These materials fall into four main families:…