相关论文: Effect of hybridization on structural and magnetic…
To perform a local orbital analysis of electronic and magnetic interactions, we construct the Wannier functions (WFs) of the Fe $3d$ orbitals in the parent compound of the recently discovered iron pnictide superconductors, LaFeAsO, and a…
The ability to tune magnetic orders, such as magnetic anisotropy and topological spin texture, is desired in order to achieve high-performance spintronic devices. A recent strategy has been to employ interfacial engineering techniques, such…
The localized f-electrons enrich the magnetic properties in rare-earth-based intermetallics. Among those, compounds with heavier 4d and 5d transition metals are even more fascinating because anomalous electronic properties may be induced by…
Dynamical properties of the lattice structure was studied by optical spectroscopy in ACr2O4 chromium spinel oxide magnetic semiconductors over a broad temperature region of T=10-335K. The systematic change of the A-site ions (A=Mn, Fe, Co,…
Bringing magnetic metals into superconducting states represents an important approach for realizing unconventional superconductors and potentially even topological superconductors. Altermagnetism, classified as a third basic collinear…
Some of the high Tc iron pnictides contain magnetic rare-earth elements, raising the question of how the existence and tunability of a d-electron antiferromagnetic order influences the heavy fermion behavior of the f-moments. With CeOFeP…
Sr2IrO4 exhibits a novel insulating state driven by spin-orbit interactions. We report two novel phenomena, namely a large magnetoresistivity in Sr2IrO4 that is extremely sensitive to the orientation of magnetic field but exhibits no…
Here, we investigated the interrelationship between pressure and correlation in the LaFeAsO compound by the density functional theory method combined with the dynamical mean field theory (DFT+DMFT) method. The spectral function and the…
The varying metallic antiferromagnetic correlations observed in iron-based superconductors are unified in a model consisting of both itinerant electrons and localized spins. The decisive factor is found to be the sensitive competition…
The recent discovery of superconductivity at moderately high temperature (26 K to 55 K) in doped iron-based pnictides (LnO_{1-x}F_xFeAs, where Ln = La, Ce, Sm, Pr, Nd, etc.), having layered-structure-like cuprates, has triggered renewed…
Dielectric and magnetic phenomena in spin and charge frustrated system RFe2O4 (R is a rare-earth metal ion) are studied. An electronic model for charge, spin and orbital degrees in a pair of triangular-lattice planes is derived. We analyze…
We elucidate the microscopic mechanism that causes a suppression of ferroelectricity and an enhancement of octahedral rotations in EuTiO3 from first principles. We find that the hybridization of the rare-earth Eu 4f states with the B-site…
The change in the electronic structure of layered Cu$_{x}$IrTe$_{2}$ has been characterized by transport and spectroscopic measurements, combined with first-principles calculations. The Cu-intercalation suppresses the monoclinic distortion,…
The effect of intermixing at the interface of short period PbTiO$_3$/SrTiO$_3$ superlattices is studied using first-principles density functional theory. The results indicate that interfacial intermixing significantly enhances the…
Using spin density functional theory we have carried out a comparative study of chemical bonding and magnetism in Fe_4N, Fe_3N and Fe_2N. All of these compounds form close packed Fe lattices, while N occupies octahedral interstitial…
Searching for novel antiferromagnetic materials with large magnetotransport response is highly demanded for constructing future spintronic devices with high stability, fast switching speed, and high density. Here we report a colossal…
We analyze the magnetic excitations and the spin-mediated superconductivity in iron-based superconductors within a low-energy model that operates in the band basis but fully incorporates the orbital character of the spin excitations. We…
The discovery of superconductivity in alkali-ammonia co-intercalated FeSe has generated intensive interest because of their highest Tc (~ 45 K) among iron-chalcogenide superconductors with bulk form. Here, we report the phase diagrams of…
The very intriguing antagonistic interplay of antiferromagnetism (AF) and superconductivity (SC), recently discovered in high-temperature superconductors, is studied in the framework of a microscopic theory. We explain the surprisingly…
Hybrid Ising superconductor-ferromagnetic insulator heterostructures provide a unique opportunity to explore the interplay between proximity-induced magnetism, spin-orbit coupling and superconductivity. Here we use a combination of…