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Intertwined charge, spin, and orbital degrees of freedom under electronic correlations in the one-dimensional Fe chalcogenide chain
Yang Zhang, Pontus Laurell, Gonzalo Alvarez +4
Motivated by recent developments in the study of quasi-one-dimensional iron systems with Fe, we comprehensively study the Fe chalcogenide chain system. Based on first…
Interlayer Pairing in Bilayer Nickelates
Thomas A. Maier, Peter Doak, Ling-Fang Lin +3
The discovery of ~K superconductivity in pressurized LaNiO has launched a new platform to study high-temperature superconductivity. Using non-perturbative d…
Magnon damping and mode softening in quantum double-exchange ferromagnets
A. Moreo, E. Dagotto, G. Alvarez +3
We present a comprehensive analysis of the magnetic excitations and electronic properties of fully quantum double-exchange ferromagnets, i.e., systems where ferromagnetic ordering…
Magnetic phase diagram of a two-orbital model for bilayer nickelates varying doping
Ling-Fang Lin, Yang Zhang, Nitin Kaushal +4
Motivated by the recently discovered high- bilayer nickelate superconductor LaNiO, we comprehensively research a bilayer cluster for different el…
Block Mott insulating state induced by next-nearest neighbor hopping in the S = 3/2 zigzag chain BaCoTe2O7
Ling-Fang Lin, Yang Zhang, Gonzalo Alvarez +2
Quasi-one-dimensional correlated electronic multi-orbital systems with either ladder or chain geometries continue attracting considerable interest due to their complex electronic p…
Stability of the novel interorbital-hopping mechanism for ferromagnetism in multi-orbital Hubbard models
Ling-Fang Lin, Yang Zhang, Gonzalo Alvarez +4
Recently, it was argued that a ferromagnetic (FM) insulating phase can be induced by a novel {\it interorbital} hopping mechanism. Here, we study the stability range of this novel…
Electronic structure, magnetic properties, spin orientation, and doping effect in MnSiTe
Yang Zhang, Ling-Fang Lin, Adriana Moreo +1
The layered material MnSiTe, with alternating stacking honeycomb and triangular layers, is attracting considerable attention due to its rich physical properties. Here,…
Strongly anisotropic electronic and magnetic structures in oxide dichlorides RuOCl and OsOCl
Yang Zhang, Ling-Fang Lin, Adriana Moreo +3
Here, using density functional theory and density matrix renormalization group methods, we investigate the electronic and magnetic properties of RuOCl and OsOCl with …
Electronic structure, magnetic properties and pairing tendencies of the copper-based honeycomb lattice NaCuTeO
Ling-Fang Lin, Rahul Soni, Yang Zhang +6
Spin- chains with alternating antiferromagnetic and ferromagnetic couplings have attracted considerable interest due to the topological character of their spin excitations. He…
Range of biquadratic and triquadratic Heisenberg effective couplings deduced from multiorbital Hubbard models
Rahul Soni, Nitin Kaushal, Cengiz Şen +3
We studied a multi-orbital Hubbard model at half-filling for two and three orbitals per site on a two-site cluster via full exact diagonalization, in a wide range for the onsite re…
Prediction of orbital selective Mott phases and block magnetic states in the quasi-one-dimensional iron chain CeOFeSe under hole and electron doping
Ling-Fang Lin, Yang Zhang, Gonzalo Alvarez +3
The recent detailed study of quasi-one-dimensional iron-based ladders, with the iron electronic density , has unveiled surprises, such as orbital-selective phases. Howe…
Theoretical study of the crystal and electronic properties of -RuI
Yang Zhang, Ling-Fang Lin, Adriana Moreo +1
The material -RuCl, with a two-dimensional Ru-honeycomb sublattice, has attracted considerable attention because it may be a realization of the Kitaev quantum spin liquid (Q…
Multitude of Topological Phase Transitions in Bipartite Dice and Lieb Lattices with Interacting Electrons and Rashba Coupling
Rahul Soni, Amit Bikram Sanyal, Nitin Kaushal +3
We report the results of a Hartree-Fock study applied to interacting electrons moving in two different bipartite lattices: the dice and the Lieb lattices, at half-filling. Both lat…
Magnetic states of quasi-one-dimensional iron chalcogenide BaFeS
Yang Zhang, Ling-Fang Lin, Gonzalo Alvarez +2
Quasi-one-dimensional iron-based ladders and chains, with the 3 iron electronic density , are attracting considerable attention. Recently, a new iron chain system BaF…
Orbital-selective Peierls phase in the metallic dimerized chain MoOCl
Yang Zhang, Ling-Fang Lin, Adriana Moreo +1
Using {\it ab initio} density functional theory, here we systematically study the monolayer MoOCl with a electronic configuration. Our main results is that an orbital-se…
Origin of insulating ferromagnetism in iron oxychalcogenide CeOFeSe
Ling-Fang Lin, Yang Zhang, Gonzalo Alvarez +2
An insulating ferromagnetic (FM) phase exists in the quasi-one-dimensional iron chalcogenide CeOFeSe but its origin is unknown. To understand the FM mechanism, here a s…
Designer Magnetism in High Entropy Oxides
Alessandro R. Mazza, Elizabeth Skoropata, Yogesh Sharma +11
Disorder can have a dominating influence on correlated and quantum materials leading to novel behaviors which have no clean limit counterparts. In magnetic systems, spin and exchan…
Oxygen magnetic polarization, nodes in spin density, and zigzag spin order in oxides
Ling-Fang Lin, Nitin Kaushal, Cengiz Şen +3
Recent DFT calculations for Ba2CoO4 (BCO) and neutron scattering experiments for SrRuO3 (SRO) have shown that oxygen develops a magnetic polarization. Moreover, DFT calculations fo…
Peierls transition, ferroelectricity, and spin-singlet formation in the monolayer VOI
Yang Zhang, Ling-Fang Lin, Adriana Moreo +2
Using {\it ab initio} density functional theory and single-orbital Hubbard model calculations via the density matrix renormalization group method, we systematically studied the mon…
Orbital ordering in the layered perovskite material CsVF
Ling-Fang Lin, Nitin Kaushal, Yang Zhang +2
In strongly correlated electronic systems, several novel physical properties are induced by the orbital degree of freedom. In particular, orbital degeneracy near the Fermi level le…
Similarities and differences between nickelate and cuprate films grown on a SrTiO substrate
Yang Zhang, Ling-Fang Lin, Wenjun Hu +3
The recent discovery of superconductivity in Sr-doped NdNiO films grown on SrTiO started a novel field within unconventional superconductivity. To understand the similariti…
Block orbital-selective Mott insulators: a spin excitation analysis
J. Herbrych, G. Alvarez, A. Moreo +1
We present a comprehensive study of the spin excitations - as measured by the dynamical spin structure factor - of the so-called block-magnetic state of low-dimensional or…
Iron telluride ladder compounds: Predicting the structural and magnetic properties of BaFeTe
Yang Zhang, Ling-Fang Lin, Adriana Moreo +2
Since the discovery of pressure-induced superconductivity in the two-leg ladder system BaFe (=S, Se), with the 3 iron electronic density , the quasi-one-dimensi…
Block-spiral magnetism: An exotic type of frustrated order
J. Herbrych, J. Heverhagen, G. Alvarez +3
Competing interactions in Quantum Materials induce novel states of matter such as frustrated magnets, an extensive field of research both from the theoretical and experimental pers…