Related papers: FeAs$_2$ formation and electronic nematic ordering…
The crystallographic and magnetic phase diagram of the n=2 layered manganite La2-2xSr1+2xMn2O7 in the region x=>0.5 has been studied using temperature dependent neutron powder diffraction. The magnetic phase diagram reveals a progression of…
In BaNiS2 a Dirac nodal-line band structure exists within a two-dimensional Ni square lattice system, in which significant electronic correlation effects are anticipated. Using scanning tunneling microscopy, we discover signs of…
We investigated the electronic structure of the antiferromagnetic Kondo lattice CePd5Al2 using high-resolution angle-resolved photoemission spectroscopy. The experimentally determined band structure of the conduction electrons is…
Calculations of the electronic and magnetic properties of the non-magnetic metallic compound YFe$_2$Si$_2$ are reported. These show that at the density functional level a magnetic state involving ordering along the $c$-axis. The electronic…
The crystal and magnetic structure of polycrystalline $La{}_{0.5-x}Nd{}_{x}Ca_{0.5}MnO{}_{3}$ (0.0 \ensuremath{\le} x \ensuremath{\le} 0.5) samples have been investigated using magnetization, resistivity, transmission electron microscope,…
As in between liquid and crystal phases lies a nematic liquid crystal, which breaks rotation with preservation of translation symmetry, there is a nematic superfluid phase bridging a superfluid and a supersolid. The nematic order also…
Oxide superlattices represent a potent avenue for tailoring emergent electronic phases through sophisticated interfacial charge transfer and dynamic lattice distortions. This study systematically investigates the structural and electronic…
Motivated by the recent angle-resolved photoemission spectroscopy (ARPES) on FeSe and iron pnictide families of iron-based superconductors, we have studied the orbital nematic order and its interplay with antiferromagnetism within the…
We report a study of nano-scale structural peculiarities of the antiferromagnetic layered semimetal EuSn2As2, and show that they are responsible for its puzzling magnetic properties. The high resolution transmission electron microscopy…
A ferroic alignment of a time-reversal-even axial vector, which is called the ferroaxial ordered state, is identified by the spontaneous rotational distortion of the lattice structure to break the vertical mirror symmetry. We theoretically…
VOCl and other transition metal oxychlorides are candidate materials for next-generation rechargeable batteries. We have investigated the influence of the underlying magnetic order on the crystallographic and electronic structure by means…
We investigate the pressure phase diagram of FeTe, predicting structural and magnetic properties in the normal state at zero temperature within density functional theory (DFT). We carefully examined several possible different crystal…
We apply the Dynamical Mean Field Theory to the problem of charge ordering. In the normal state as well as in the Charge Ordered (CO) state the existence of polarons, i.e. electrons strongly coupled to local lattice deformation, is…
Motivated by the search for design principles of rare-earth-free strong magnets, we present a study of electronic structure and magnetic properties of the ferromagnetic metal Fe3GeTe2 within local density approximation (LDA) of the density…
The intriguing role of nematicity in iron-based superconductors, defined as broken rotational symmetry below a characteristic temperature, is an intensely investigated contemporary subject. Nematicity is closely connected to the structural…
KO2 exhibits concomitant antiferromagnetic (AFM) and structural transitions, both of which originate from the open-shell 2p electrons of O$_{2}^{-}$ molecules. The structural transition is accompanied by the coherent tilting of O$_{2}^{-}$…
We report measurements on Ti$_4$MnBi$_2$, where a crystal structure involving linear chains of Mn ions suggests one-dimensional magnetic character. The electrical resistivity is metallic, consistent with the results of electronic structure…
The iron arsenide Sr2CrO3FeAs with the tetragonal Sr2GaO3CuS-type structure was synthesized and its crystal structure re-determined by neutron powder diffraction. In contrast to previous X-ray crystallographic studies, a mixed occupancy of…
The ferroelectric nematic phase (N$_{\text{F}}$) has quickly become the most studied system in liquid crystal research. In this work, we investigate the origin of such polar structure by studying a compound for which the N$_{\text{F}}$…
The Gutzwiller technique has long been known as a method to include correlations in electronic structure calculations. Here we implement an ab-initio Gutzwiller+LDA calculation, and apply it to a classic problem, the ferromagnetism of bulk…