In this work we discuss the occurrence of ferromagnetism in transition-like metals. The metal is represented by two hybridized($V$) and shifted $(ε_s$) bands one of which includes Hubbard correlation whereas the other is uncorrelated. The starting point is to transform the original Hamiltonian into an effective one. Only one site retains the full correlation (U) while in the others the correlations are represented by an effective field, the self-energy(single-site approximation). This field is self-consistently determined by imposing the translational invariance of the problem. Thereby one gets an exchange split quasi-particle density of states and then an electron-spin polarization for some values of the parameters $(U,V, α, ε_s)$, $α$ being the ratio of the effective masses of the two bands and of the occupation number $n$.
Kondo hybridization in partially filled f-electron systems conveys significant amount of electronic states sharply near the Fermi energy leading to various instabilities from superconductivity to exotic electronic orders. UGe2 is a 5f heavy fermion system, where the Kondo hybridization is interrupted by the formation of two ferromagnetic phases below a 2nd order transition Tc ~ 52 K and a crossover transition Tx ~ 32 K. These two ferromagnetic phases are concomitantly related to a spin-triplet superconductivity that only emerges and persists inside the magnetically ordered phase at high pressu…
We perform ab-initio calculations on Bi$_\mathrm{Se}$ antisite defects in the surface of Bi$_2$Se$_3$, finding strong low-energy defect resonances with a spontaneous ferromagnetism, fixed to an out-of-plane orientation due to an exceptional large magnetic anisotropy energy. For antisite defects in the surface layer, we find semi-itinerant ferromagnetism and strong hybridization with the Dirac surface state, generating a finite energy gap. For deeper lying defects, such hybridization is largely absent, the magnetic moments becomes more localized, and no energy gap is present.
We report a combined experimental and theoretical study on intriguing magnetic properties of quasiferroelectric orthochromates. Large single crystals of the family of RECrO$_3$ (RE = Y, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu) compounds were successfully grown. Neutron Laue study indicates a good quality of the obtained single crystals. Applied magnetic-field and temperature dependent magnetization measurements reveal their intrinsic magnetic properties, especially the antiferromagnetic (AFM) transition temperatures. Density functional theory studies of the electronic structures were carried ou…
Artificially fabricated 3$d$/5$d$ superlattices (SLs) involve both strong electron correlation and spin-orbit coupling in one material by means of interfacial 3$d$-5$d$ coupling, whose mechanism remains mostly unexplored. In this work we investigated the mechanism of interfacial coupling in LaMnO$_3$/SrIrO$_3$ SLs by several spectroscopic approaches. Hard x-ray absorption, magnetic circular dichroism and photoemission spectra evidence the systematic change of the Ir ferromagnetism and the electronic structure with the change of the SL repetition period. First-principles calculations further re…
We carry out a first-principles investigation on magnetism, electronic structure, magneto-optical effects and topological property of newly grown cubic double perovskite Ba2NiOsO6 and its (111) (Ba2NiOsO6)/(BaTiO3)10 superlattice, based on the density functional theory with the generalized gradient approximation (GGA) plus onsite Couloumb interactions. Interestingly, we find that both structures are rare ferromagnetic (FM) semiconductors with estimated Curie temperatures of ~150 and 70 K, respectively. The calculated near-neighbor exchange coupling parameters reveal that the ferromagnetism is …
We investigate near-Fermi-energy (EF) element-specific electronic and spin states of ferromagnetic van der Waals (vdW) metal Fe5GeTe2. The soft x-ray angle-resolved photoemission spectroscopy (SX-ARPES) measurement provides spectroscopic evidence of localized Fe 3d band. We also find prominent hybridization between the localized Fe 3d band and the delocalized Ge/Te p bands. This picture is strongly supported from direct observation of the remarkable spin polarization of the ligand p bands near EF, using x-ray magnetic circular dichroism (XMCD) measurements. The strength of XMCD signal from lig…
We propose a new mechanism for quantum anomalous Hall (QAH) effect in the AB stacked MoTe$_2$/WSe$_2$ system. Based on the observation that the inter-layer tunneling is suppressed in the AB stacking, we consider a model with two layers coupled through the Coulomb interaction. The moiré lattices of the two layers are shifted to form a honeycomb lattice together. Initially, the system is in a layer-polarized Mott insulator at $ν_T=1$. But with a displacement field, an equal number of holes and electrons are doped into the two layers respectively and they form inter-layer exciton condensation. Th…
The correlated electronic structure of the infinite-layer compounds NdNiO$_2$ and SrCuO$_2$ at stoichiometry and with finite hole doping is compared. Key differences are elucidated from an advanced first-principles many-body perspective. Contrary to the charge-transfer insulating cuprate, the self-doped nickelate remains non-insulating even for large interaction strength, though the Ni-$d_{x^2-y^2}$ spectral weight is also gapped in that limit. Hybridization between Ni$(3d)$ and Nd$(5d)$ is crucial for the appearance of the self-doping band. Upon realistic hole doping, Sr$_{1-y}$CuO$_2$ shows …
Floquet dressing of bulk metallic bands in 2H-NbSe2
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所凝聚态物理国家实验室）；Department of Applied Physics, KTH Royal Institute of Technology（瑞典皇家理工学院应用物理系）
