Related papers: FeAs$_2$ formation and electronic nematic ordering…
Using the experimentally measured temperature and doping dependent structural parameters on Ru doped BaFe$_2$As$_2$, orbital-dependent reconstruction of the electronic structure across the magnetostructural transition is found, through…
We present a theoretical study of the structure-property correlation in gallium ferrite, based on the first principles calculations followed by a subsequent comparison with the experiments. Local spin density approximation (LSDA+U) of the…
The electronic structure of the enigmatic iron-based superconductor FeSe has puzzled researchers since spectroscopic probes failed to observe the expected electron pocket at the $Y$ point in the 1-Fe Brillouin zone. It has been speculated…
Recently discovered heavy fermion CeRh$_{2}$As$_{2}$ compound crystallizes in the nonsymmorphic $P4/nmm$ symmetry, which enables the occurrence of topological protection. Experimental results show that this material exhibits unusual…
The chemical ordering transition in a binary alloy is examined using classical density functional theory for a binary mixture. The ordered lattice is assumed to be obtained from the disordered lattice by a volume change only, as in L1_2…
Interesting emergent behavior in quantum materials arises when the interaction of electrons with the lattice leads to partial localization and ordering of charge at low temperatures. The triangular lattice of some transition metal…
We present a detailed structural investigation via neutron diffraction of differently heat treated samples Fe2VAl and Fe2+xV1-xAl. Moreover, the magnetic behaviour of these materials is studied by means of mSR and Mossbauer-experiments. Our…
An electronic nematic state spontaneously breaks a point-group symmetry of an underlying lattice. As a result, the nematic-isotropic transition accompanies a Fermi surface distortion. However, the anisotropic nature of the nematic state at…
Among the ferromagnetic binary alloys, body centered cubic (bcc) Fe-Co is the one showing the highest magnetization. It is known experimentally that ordered Fe-Co structures show a larger magnetization than the random solid solutions with…
The underdoped phase diagram of the iron-based superconductors exemplifies the complexity common to many correlated materials. Indeed, multiple ordered states that break different symmetries but display comparable transition temperatures…
The ordering transitions of a 2D lattice liquid characterized by a single favoured local structure (FLS) are studied using Monte Carlo simulations. All eight distinct geometries for the FLS are considered and we find a variety of ordering…
A hallmark of the iron-based superconductors is the strong coupling between magnetic, structural and electronic degrees of freedom. However, a universal picture of the normal state properties of these compounds has been confounded by recent…
We report on the single crystal growth and anisotropic physical properties of CeAgAs$_2$. The compound crystallizes as on ordered variant of the HfCuSi$_2$-type crystal structure and adopts the orthorhombic space group $Pmca$~(\#57) with…
The electronic structure of Me[N(CN)$_2$]$_2$ (Me=Mn, Fe, Co, Ni, Cu) molecular magnets has been investigated using x-ray emission spectroscopy (XES) and x-ray photoelectron spectroscopy (XPS) as well as theoretical density-functional-based…
Electronic structure and magnetic properties for iron-selenide KFe$_2$Se$_2$ are studied by first-principles calculations. The ground state is stripe-like antiferromagnetic with calculated 2.26 $\mu_B$ magnetic moment on Fe atoms; and the…
The nature of the tetragonal-to-orthorhombic structural transition at $T_s\approx90$ K in single crystalline FeSe is studied using shear-modulus, heat-capacity, magnetization and NMR measurements. The transition is shown to be accompanied…
A comparative analysis of the properties of FeSe${}_{1-x}$Te${}_{x}$ crystals in the range of x values of about 0.4 and pure FeSe crystals is presented. We found that the anomaly in R (T) at the structural transition for the former differs…
An electron nematic is a translationally invariant state which spontaneously breaks the discrete rotational symmetry of a host crystal. In a clean square lattice, the electron nematic has two preferred orientations, while dopant disorder…
We have observed the orbital ordering in the ferromagnetic Mott-insulator Lu2V2O7 by the polarized neutron diffraction technique. The orbital ordering pattern determined from the observed magnetic form factors can be explained in terms of a…
The origin of nematicity in FeSe remains a critical outstanding question towards understanding unconventional superconductivity in proximity to nematic order. To understand what drives the nematicity, it is essential to determine which…