相关论文: A first-principles study and mesoscopic modeling o…
The electronic structure and magnetic properties of LiFeAs and FeSe have been studied using hybrid exchange density functional theory. The total energies for a unit cell in LiFeAs and FeSe with different spin states including non-magnetic…
FeSe is a unique high-$T_c$ iron-based superconductor in which nematicity, superconductivity, and magnetism are entangled with each other in the $P$-$T$ phase diagram. We performed $^{77}$Se-nuclear magnetic resonance measurements under…
We use the state-of-the-arts density-functional-theory method to study various magnetic orders and their effects on the electronic structures of the FeSe. Our calculated results show that, for the spins of the single Fe layer, the striped…
The fluctuations of the magnetic order parameter, or longitudinal spin excitations, are investigated theoretically in the ferromagnetic Fe and Ni as well as in the antiferromagnetic phase of the pnictide superconductor FeSe. The charge and…
We investigate properties of a spin-1 Heisenberg model with extended and biquadratic interactions, which captures crucial aspects of the low energy physics in FeSe. While we show that the model exhibits a rich phase diagram with four…
Magnetic spin fluctuations is one candidate to produce the bosonic modes that mediate the superconductivity in the ferrous superconductors. Up until now, all of the LaOFeAs and BaFe2As2 structure types have simple commensurate magnetic…
To elucidate the magnetic structure and the origin of the nematicity in FeSe, we perform a high-pressure $^{77}$Se NMR study on FeSe single crystals. We find a suppression of the structural transition temperature with pressure up to about 2…
Using first principles calculations, we analyze structural and magnetic trends as a function of charge doping and pressure in BaFe$_2$As$_2$, and compare to experimentally established facts. We find that density functional theory, while…
A counter-intuitive enhancement of quantum fluctuation with larger spins, together with a few novel physical phenomena, is discovered in studying the recently observed emergent magnetism in high-temperature superconductor FeSe under…
We provide a band structure with low-energy properties consistent with recent photoemission and quantum oscillations measurements on FeSe, assuming mean-field like s and/or d-wave orbital ordering at the structural transition. We show how…
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
Using linear-response density-functional theory, we obtain the magnetic interactions in the several iron pnictides. The ground state has been found to be non-collinear in FeSe, with a large continuum of nearly degenerate states lying very…
To elucidate the origin of nematic order in FeSe, we performed field-dependent 77Se-NMR measurements on single crystals of FeSe. We observed orbital ordering from the splitting of the NMR spectra and Knight shift and a suppression of it…
We present $^{77}$Se-NMR measurements on single-crystalline FeSe under pressures up to 2 GPa. Based on the observation of the splitting and broadening of the NMR spectrum due to structural twin domains, we discovered that static, local…
Nematicity and magnetism are two key features in Fe-based superconductors, and their interplay is one of the most important unsolved problems. In FeSe, the magnetic order is absent below the structural transition temperature $T_{str}=90$K,…
Pressure-induced changes in the magnetic and superconducting properties of a spin-triplet superconductor candidate UTe2 have attracted considerable interest, underscoring the need for microscopic theoretical insight. In this paper, we…
We present a theoretical study of the dynamical spin susceptibility for the intriguing Fe-based superconductor FeSe, based on a tight-binding model developed to account for the temperature-dependent band structure in this system. The model…
Recent inelastic neutron scattering (INS) measurements on FeSe and Fe(Te$_{1-x}$Se$_x$), have sparked intense debate over the nature of the ground state in these materials. Here we propose an effective bilinear-biquadratic spin model which…
Ground state and low-energy excitations of the quasi-one-dimensional antiferromagnet CuSe$_2$O$_5$ were experimentally studied using bulk magnetization, neutron diffraction, muon spin relaxation and antiferromagnetic resonance measurements.…
Elucidating the microscopic origin of nematic order in iron-based superconducting materials is important because the interactions that drive nematic order may also mediate the Cooper pairing. Nematic order breaks fourfold rotational…