Related papers: Pressure-tunable structural instabilities in singl…
The recent discovery of high-temperature superconductivity in pressurized nickelates has renewed interest in the broken-symmetry states of their ambient-pressure parent phases, where a density-wave (DW) order emerges and competes with…
The recent discovery of superconductivity in pressurized Ruddlesden-Popper (RP) nickelates has provided new perspectives on the mechanism of high-temperature superconductivity. Up to now, most experiments concentrated on the…
The recent discovery of superconductivity under pressure in Ruddlesden-Popper (RP) nickelates has attracted a great deal of attention. Here, using charge-self consistent density-functional theory plus dynamical mean-field theory, we study…
The recent discovery of superconductivity in La$_3$Ni$_2$O$_7$ and La$_4$Ni$_3$O$_{10}$ under high pressure stimulates intensive research interests. These nickelates crystallize in an orthogonal/monoclinic structure with tilted NiO$_6$…
Nickelates have attracted enormous attention since the discovery of high-temperature superconductivity in La3Ni2O7 under high pressure. However, whether superconducting nickelate single crystals can be prepared at ambient pressure remains…
Motivated by the recent rapid progress in high-$T_c$ nickelate superconductors, we comprehensively study the physical properties of the alternating bilayer trilayer stacking nickelate La$_7$Ni$_5$O$_{17}$. The high-symmetry phase of this…
In addition to the pressurized high-temperature superconductivity, bilayer and trilayer nickelate superconductors Lan+1NinO3n+1 (n = 2 and 3) exhibit many intriguing properties at ambient pressure, such as orbital-dependent electronic…
Rare-earth nickelates RNiO$_2$ adopting an infinite-layer phase show superconductivity once La, Pr or Nd are substituted by a divalent cation. Either in the pristine or doped form, these materials are reported to adopt a high symmetry,…
Trilayer nickelates are a rich class of materials exhibiting diverse correlated phenomena, including superconductivity, density wave transitions, non-Fermi liquid behavior along with an unusual metal-to-metal transition around T* ~ 150 K.…
We investigate the crystal structure and the electronic properties of the trilayer nickelate La$_4$Ni$_3$O$_{10}$ by means of quantum mechanical calculations in the framework of the density functional theory. We find that, at low…
The discovery of pressure-induced superconductivity in two- and three-layer Ruddlesden-Popper nickelates has generated significant interest in these materials as a platform for unconventional superconductivity. While their ground state…
I show the infinite-layer rare-earth nickelates are near a structural quantum critical point by mapping the energetics of their structural instabilities using first priniciples calculations. I first confirm previous results that show a…
The discovery of superconductivity in infinite-layer nickelates has added a new family of materials to the fascinating growing class of unconventional superconductors. By incorporating the strongly correlated multi-orbital nature of the…
The recent discovery of high-temperature superconductivity in pressurized Ruddlesden-Popper nickelates stimulated intense research into their correlated electron physics. Establishing the diversity of ground states across different…
It has been recently shown that under pressure trilayer Ruddlesden-Popper nickelate La$_4$Ni$_3$O$_{10}$ (LNO) becomes superconducting below a critical temperature $\sim$20 K, in addition to the infinite-layer and bilayer systems. Motivated…
Low-valent nickelates R$_{n+1}$Ni$_n$O$_{2n+2}$ (R = rare earth) containing Ni$^{1+}$ (d$^{9}$) with a quasi-two-dimensional (quasi-2D) square planar coordination geometry possess structural and electronic properties that are similar to…
We use first-principles calculations to find that in infinite-layer nickelates $R$NiO$_2$, the widely studied tetragonal $P4/mmm$ structure is only dynamically stable for early lanthanide elements $R$ = La-Sm. For late lanthanide elements…
The recent discovery of high-temperature superconductivity in pressurized and thin film nickelates has generated intense interest, yet the nature of magnetism in their ambient-pressure parent phases remains poorly understood, despite its…
Recently, signatures of superconductivity with critical temperature from 20 to 30 K have been reported in pressured trilayer nickelate La$_4$Ni$_3$O$_{10}$ through a pressure-induced structure transition. Here we explore the evolution of…
Motivated by the recently discovered high-$T_c$ superconductor La$_3$Ni$_2$O$_7$, we comprehensively study this system using density functional theory and random phase approximation calculations. At low pressures, the Amam phase is stable,…