Related papers: Identifying the structure of La3Ni2O7 in the press…
The recent discovery of ambient-pressure superconductivity with $T_c$ above 40 K in La$_3$Ni$_2$O$_7$ thin films represents a significant advance in the field of nickelate superconductor. Motivated by the experimental reports, here we study…
Recently, the Ruddlesden-Popper bilayer nickelate $La_3Ni_2O_7$ has emerged as a superconductor with a transition temperature ($T_c$) of approximately 80 K above 14 GPa (Refs. 1-3). Achieving higher $T_c$ in nickelate superconductors, along…
Measurements of temperature-dependent resistance and magnetization under hydrostatic pressures up to 2.13 GPa are reported for single-crystalline, superconducting BaBi$_3$. A temperature - pressure phase diagram is determined and the…
Motivated by the recent observation of ambient-pressure superconductivity with $T_c \sim 40$ K in La3Ni2O7 on SrLaAlO4(001) (SLAO), we explore the structural and electronic properties as well as the spin-spin correlation function of this…
The recent discovery of a superconductivity signature in La3Ni2O7-{\delta} under a pressure of 14 GPa, with a superconducting transition temperature of around 80 K, has attracted considerable attention. An important aspect of investigating…
The recently discovered bilayer Ruddlesden-Popper nickelate La$_3$Ni$_2$O$_7$ exhibits superconductivity with a remarkable transition temperature $T_c\approx 80 $ K under applied pressures above 14.0 GPa. This discovery of new family of…
Three low-valence layered nickelates with general formula La$_3$Ni$_2$O$_{7-\delta}$ ($\delta$=0.0, 0.5, 1) are studied by ab initio techniques. Both the insulating and metallic limits are analyzed, together with the compound at the Mott…
We report on the structural phase transitions in the S doped FeSe superconductor by powder synchrotron X ray diffraction at high pressures up to 18.5 GPa under compression and decompression modes. In order to create high quasi hydrostatic…
The discovery of superconductivity in the bulk nickelates under high pressure is a major advance in physics. The recent observation of superconductivity at ambient pressure in compressively strained bilayer nickelate thin films has now…
This study explores the pressure evolution of the double perovskite Ba$_2$NiTeO$_6$ by employing experimental and computational techniques. For the study of structural and vibrational properties, synchrotron X-ray diffraction (XRD) and…
Recently, the bilayer perovskite nickelate La$_3$Ni$_2$O$_7$ has been reported to show evidence of high-temperature superconductivity (SC) under a moderate pressure of about 14 GPa. To investigate the superconducting mechanism, pairing…
Recently, the bulk nickelate La$_3$Ni$_2$O$_7$ is reported to show signature of high-temperature superconductivity under high pressure above $14$GPa [H. Sun et al., Nature 621, 493 (2023)]. We analyze the pairing mechanism and pairing…
Recently signatures of superconductivity were observed close to 80 K in \LN\ under pressure. This discovery positions \LN\ as the first bulk nickelate with high-temperature superconductivity, but the lack of zero resistance presents a…
Besides ongoing studies of phase structural transitions, pairing mechanism, and physical properties of recently discovered highly compressed high-temperature superconductor La$_3$Ni$_2$O$_{7-\delta}$, here we explored a possibility for the…
Rietveld analysis of the powder X-ray diffraction of a new layered oxyarsenide, LaNiOAs, which was synthesized by solid-state reactions, revealed that LaNiOAs belongs to the tetragonal ZrCuSiAs-type structure (P4/nmm) and is composed of…
The recent discovery of superconductivity in La3Ni2O7-{\delta} under high pressure with a transition temperature around 80 K has sparked extensive experimental and theoretical efforts. Several key questions regarding the pairing mechanism…
La$_{3}$Ni$_{2}$O$_{7}$ has garnered widespread interest recently due to its high-temperature superconductivity under pressure, accompanied by charge density wave (CDW) ordering and metal-insulator (MI) transitions in the phase diagram.…
As an A-site-vacant perovskite-type oxide, ReO3 undergoes sequential pressure-driven structural transitions associated with the rotation of ReO6 octahedra. The rhombohedral-I phase in the pressure range of 12-39 GPa is featured by a lattice…
The discovery of high critical temperature (Tc) superconductivity in pressurized La$_3$Ni$_2$O$_7$ has ignited renewed excitement in the search of novel high-Tc superconducting compounds with 3d transition metals. Compared to other…
We develop a first-principles framework for finite-temperature structural optimization that incorporates vibrational contributions to the free energy through anharmonic phonon theory. We extend and further improve the efficiency of the…