相关论文: Correlated electronic structure of a quintuple-lay…
Nickelate superconductors are outstanding materials with intriguing analogies with the cuprates. These analogies suggest that their superconducting mechanism may be unconventional, although this fundamental question is currently under…
The recent discovery of superconductivity in Ruddlesden-Popper bilayer nickelate La3Ni2O7 under pressure has drawn a lot of interest. La3Ni2O7 is isostructural with cuprates in some respect. Investigation of its properties will undoubtedly…
The ambient-pressure superconductivity in $\mathrm{La}_{3}\mathrm{Ni}_{2}\mathrm{O}_{7}$ thin films via compressive epitaxial strain provides a highly accessible platform for diverse characterization techniques, facilitating the studies of…
Recently Li et al (2019 Nature 572 624) discovered a new type of oxide superconductor Nd0.8Sr0.2NiO2 with T$_c$ = 14 K. To classify superconductivity in this infinite-layer nickelate experimental upper critical field, B$_{c2}$(T), and the…
Motivated by the potential for cuprate-like superconductivity in monolayer rare-earth nickelate superlattices, we study the effects of crystal field splitting, lattice distortions and strain on the charge, magnetic, and orbital order in…
Superconducting nickelates are a new family of strongly correlated electron materials with a phase diagram closely resembling that of superconducting cuprates. While analogy with the cuprates is natural, very little is known about the…
Dimensionality and electronic correlations are crucial elements of many quantum material properties. An example is the change of the electronic structure accompanied by the loss of quasiparticles when a metal is reduced from three…
The prediction of high $T_c$ superconductivity in layers of LaNiO$_3$ through orbital engineering has led to extensive research efforts over the last fifteen years. During this period, a plethora of thin films and heterostructures based…
Neodymium nickelate, NdNiO3 attracts attraction due to the simultaneous occurrence of several phase transitions around the same temperature. The electronic properties of NdNiO3 are extremely complex as structural distortion, electron…
Low-energy instabilities in the hole doped cuprates include, besides short range antiferromagnetic fluctuations and superconductivity, also ubiquitous translational and rotational symmetry breakings. The overwhelming majority of…
We report theoretical predictions on the pairing symmetry of the newly discovered superconducting nickelate Nd$_{1-x}$Sr$_{x}$NiO$_{2}$ based on the renormalized mean-field theory for a generalized model Hamiltonian proposed in [Phys. Rev.…
Density functional theory (DFT) within the local density approximation (LDA) is used to understand the electronic properties of Na1/3CoO2 and Na1/3CoO2(H2O)4/3, which was recently found to be superconducting1. Comparing the LDA charge…
After decades of fundamental research, unconventional superconductivity has recently been demonstrated in rare-earth infinite-layer nickelates. The current view depicts these systems as a new category of superconducting materials, as they…
I describe the issues of the competing orders in normal state of a parent and Ni-doped iron pnictide superconductor, SrF e 2 As 2 , using LMTO band structure calculation plus multi orbital dynamical mean-field theory. Strong, electronic…
Magnetism and superconductivity are closely entangled, elucidating the magnetic interactions in nickelate superconductors is at the heart of understanding the pairing mechanism. Our first-principles and spin-wave theory calculations…
The discovery of superconductivity in infinite-layer nickelates establishes a new category of unconventional superconductors that share structural and electronic similarities with cuprates. Despite exciting advances, such as the…
In the realm of quantum chemistry, the accurate prediction of electronic structure and properties of nanostructures remains a formidable challenge. Density Functional Theory (DFT) and Density Matrix Renormalization Group (DMRG) have emerged…
We comment on the electronic structure of Nickelate system $Nd Ni O_2$ which shows superconductivity on doping. The doped system $Nd_{0.8}Sr_{0.2}NiO_2$ shows (most probably unconventional) superconductivity with transition temperatures…
The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…
We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the…