相关论文: Cation modified A2(Ba, Sr, and Ca)ZnWO6 cubic doub…

We report synthesis, structural and magnetic (DC and AC) properties of Boron substituted MgCNi3 superconductor. A series of polycrystalline bulk samples Mg1.2C1.6-xBxNi3 (x = 0.0, 0.08 and 0.16) is synthesized through standard solid-state…

A systematic study of (A,A')2FeMoO6 (A,A'=Ca, Sr, Ba) ferromagnetic oxides with double perovskite structure has been performed using 95,97Mo and 57Fe NMR spectroscopy. These oxides are isoelectronic but have substantially different Curie…

The use of mixed cation absorber composition was considered as an efficient strategy to mitigate the degradation effects in halide perovskite solar cells. Despite the reports about partial stabilization at elevated temperatures, unfavorable…

Double perovskite compounds containing 5d transition metal elements have been extensively studied as platforms for multipolar order phenomena stemming from spin-orbit-entangled 5d electrons. In this study, we examine the interplay between…

B-site ordered A$_2$B'B''O$_6$ double perovskites have a variety of applications as magnetic materials. Here we show that diamagnetic $d^{10}$ and $d^0$ B'' cations have a significant effect on the magnetic interactions in these materials.…

The ordering of cations in the B sublattice remains a challenging issue in double perovskites. In this work, a combined experimental and theoretical approach was employed to investigate the Co/Nb distribution in Ca$_2$CoNbO$_6$ and its…

Wurtzite-type ferroelectrics are highly promising for next-generation microelectronic devices due to their ferroelectric properties and integration with exiting semiconductors. However, their high coercive fields, which are close to…

Double perovskites Sr2FeOsO6 and Ca2FeOsO6 show puzzling magnetic properties, the former a low-temperature antiferromagnet while the later a high-temperature insulating ferrimagnet. Here, in order to understand the underlying mechanism, we…

We report on the structural, magnetic, and electronic properties of two new double-perovskites synthesized under high pressure; Pb2CaOsO6 and Pb2ZnOsO6. Upon cooling below 80 K, Pb2CaOsO6 simultaneously undergoes a metal--insulator…

The pursuit of room-temperature ambient-pressure superconductivity in novel materials has sparked interest, with recent reports suggesting such properties in Cu-substituted lead apatite, known as LK-99. However, these claims lack…

First principle calculations were performed to study the ground state electronic properties of Barium titanate within the density functional theory (DFT). In our DFT computations, we used Vosko-Wilk-Nusair correlation energy functional and…

Structural and optoelectronic properties of BaThO3 cubic perovskite are calculated using all electrons full potential linearized augmented plane wave (FP-LAPW) method. Wide and direct band gap, 5.7 eV, of the compound predicts that it can…

Using a combination of first-principles density functional theory (DFT) calculations and exact diagonalization studies of a first-principles derived model, we carry out a microscopic analysis of the magnetic properties of the half-metallic…

Halide perovskites consist a class of materials under intense investigation due to their potential technological applications like solar cells, optoelectronic devices and catalysis. Recently we have studied using electronic band structure…

Metal-halide perovskites are promising materials for future optoelectronic applications. One intriguing property, important for many applications, is the tunability of the band gap via compositional engineering. While experimental reports…

Theoretically, the relative change of the Heisenberg-type nearest-neighbor coupling $J_1$ and next-nearest-neighbor coupling $J_2$ in the face-centered-cubic lattice can give rise to three main antiferromagnetic orderings of type-I,…

Combining experimental investigations and first-principles DFT calculations, we report physical and magnetic properties of Gd-substituted Y$_2$CoMnO$_6$ double perovskite, which are strongly influenced by antisite-disorder-driven spin…

Hot carrier solar cells hold promise for exceeding the Shockley-Queisser limit. Slow hot carrier cooling is one of the most intriguing properties of lead halide perovskites and distinguishes this class of materials from competing materials…

Vacancy ordered halide perovskites have been extensively investigated as promising lead-free alternatives to halide perovskites for various opto-electronic applications. Among these Cs$_{2}$TiBr$_{6}$ has been reported as a stable absorber…

Here, we report structural and optical properties of (ALa)(FeMn)O6 (A = Ba and Sr) double perovskite synthesized via auto-combustion followed by a calcination process. Rietveld refinement of the structure using x-ray diffraction data…