相关论文: Magnetic Properties Controlled by Interstitial or …
Ab initio electronic structure calculations show that the recently identified quasi-two-dimensional electride Y$_2$C is a weak itinerant ferromagnet or at least close to a ferromagnetic instability. The ferromagnetism is induced by the…
We study the magnetism and lattice distortion of Fe_{1+y}Te_{1-x}Se_x with a general field theory formalism, motivated by recent neutron scattering experiments. Besides the Ising nematic order parameter which can be naturally defined in the…
We present here an investigation of the magnetic ordering in the Mott insulating oxyselenide materials Ln2O2Fe2OSe2 (Ln = Ce, Nd). Neutron powder diffraction data are consistent with a non-collinear multi-k ordering on the iron sublattice…
We report a sequence of continuous phase transformations in iron telluride, Fe1+yTe (y~0.1), which is observed by combining neutron diffraction, magnetic susceptibility, and specific heat measurements on single crystal samples. While a…
High entropy oxides (HEOs) can possess long-range ordered magnetic states despite their extreme chemical disorder. Very little is known about how the different chemical constituents in HEOs contribute to the emergence of these magnetic…
Variant approaches, either based on the Fermi surface nesting or started from the proximity to a Mott-insulator, were proposed to elucidate the physics in iron pnictides, but no consensus has been reached. A fundamental problem concerns the…
We present the results of structural and magnetic phase comparisons of the iron oxychalcogenides La$_{2}$O$_{2}$Fe$_{2}$O$M$$_{2}$ ($M$ = S, Se). Elastic neutron scattering reveals that $M$ = S and Se have similar nuclear structures at room…
We address the ferromagnetic tendencies detrimental for superconductivity that are related to the substitution of the pnictogen As atom with Ge or Si, together with additional substitutions in the spacer layers in 122 and 1111 Fe-based…
The magnetization distribution, its energetic characterization by the interlayer coupling constants and lattice dynamics of (001)-oriented Fe/Pt multilayers are investigated using density functional theory combined with the direct method to…
An insulating ferromagnetic (FM) phase exists in the quasi-one-dimensional iron chalcogenide Ce$_2$O$_2$FeSe$_2$ but its origin is unknown. To understand the FM mechanism, here a systematic investigation of this material is provided,…
Metal intercalation into layered topological insulator materials such as the binary chalcogenide Bi2X3 (X=Te or Se) has yielded novel two-dimensional electron-gas physics, phase transitions to superconductivity, as well as interesting…
We report density functional calculations of electronic structure and magnetic properties of ternary iron chalcogenide TlFe$_{2}$Se$_{2}$, which occurs in the ThCr$_{2}$Si$_{2}$ structure and discuss the results in relation to the…
Transition metal-intercalated transition metal dichalcogenides (TMDs) are promising platforms for next-generation spintronic devices based on their wide range of electronic and magnetic phases, which can be tuned by varying the host lattice…
Altermagnetism has so far been associated with compensated magnetic moments carried by atoms. Here we introduce Stoner instability induced interstitial-electron altermagnetism, a distinct mechanism in which altermagnetic order is carried…
We discuss the role of striction in the intertwined magnetic and structural phase transitions in the underdoped iron-pnictides. The magneto-elastic coupling to acoustic modes is then derived and estimated in framework of the multiband…
Disorder in materials may be used to tune their functionalities, but much more strikingly, its presence can entail entirely new behavior. This happens in charge-ice where structural disorder is not weak and local, but strong and long-range…
The electronic structure and magnetism of a new magnetic intercalation compound (Li0.8Fe0.2)OHFeSe are investigated theoretically. The electronic structure calculations predict that the Fe in the (Li,Fe)OH intercalated layer is in +2…
This paper explains the multi-orbital band structures and itinerant magnetism of the iron-pnictide and chalcogenides. We first describe the generic band structure of an isolated FeAs layer. Use of its Abelian glide-mirror group allows us to…
Neutron spectroscopy is used to investigate the magnetic fluctuations in Fe_{1+x}Te - a parent compound of chalcogenide superconductors. Incommensurate "stripe-like" excitations soften with increased interstitial iron concentration. The…
Magnetic MXenes are turning out to be an important family of materials for exploring 2D magnetism. However, investigations into the inter-dependence of layer thickness, stacking patterns and magnetism in these materials, from a microscopic…