Related papers: Electronic reconstruction through the structural a…

Electronic structure and magnetic properties for iron deficient TlFe$_{2-x}$Se$_2$ compounds are studied by first-principles calculations. We find that for the case of $x=0.5$ with a Fe-vacancy ordered orthorhombic superstructure, the…

A three-orbital itinerant-electron model involving d_{xz}, d_{yz} and d_{xy} Fe 3d orbitals is proposed for iron pnictides towards understanding the (\pi,0) ordered magnetism and magnetic excitations in these materials. It is shown that…

The appearance of intrinsic ferromagnetism in 2D materials opens the possibility of investigating the interplay between magnetism and topology. The magnetic anisotropy energy (MAE) describing the easy axis for magnetization in a particular…

Structural phase transitions accompanied by incommensurate and commensurate charge density wave (CDW) modulations of unconventional nature have been reported in BaNi$_2$As$_2$, a nonmagnetic cousin of the parent compound of Fe-based…

X-ray absorption spectroscopy (XAS) as well as x-ray magnetic circular dichroism (XMCD) and magnetization of hybrid pyrochlore Eu2-xFexTi2O7 were investigated, where the rare earth Eu (4f) was replaced with transition metal Fe (3d) to…

To elucidate the role played by the transition metal ion in the pnictide materials, we compare the electronic and magnetic properties of BaFe_{2}As_{2} with BaMn_{2}As_{2}. To this end we employ the LDA+Gutzwiller method to analyze the mass…

Using realistic low-energy model with parameters derived from the first-principles electronic structure calculation, we address the origin of the quasi-one-dimensional behavior in orthorhombic NaV$_2$O$_4$, consisting of the double chains…

We investigate the electronic structure of tungsten ditelluride (WTe$_2$) flakes with different thicknesses in magneto-transport studies. The temperature-dependent resistance and magnetoresistance (MR) measurements both confirm the breaking…

Recently, layered copper chalcogenides Cu2X family (X=S, Se, Te) has attracted tremendous research interests due to their high thermoelectric (TE) performance, which is partly due to the superionic behavior of mobile Cu ions, making these…

We report on $^{75}$As-NMR measurements in single crystalline BaFe$_{2}$(As$_{0.96}$P$_{0.04}$)$_{2}$ for magnetic fields parallel to the orthorhombic $[110]_{\rm o}$ and $[100]_{\rm o}$ directions above the structural transition…

We present a combined theoretical and experimental study of the electronic structure and equation of state (EOS) of crystalline PdN2. The compound forms above 58 GPa in the pyrite structure and is metastable down to 11 GPa. We show that the…

The optical properties of a large, detwinned single crystal of BaFe$_2$As$_2$ have been examined over a wide frequency range above and below the structural and magnetic transition at $T_{\rm N}\simeq 138$ K. Above $T_{\rm N}$ the real part…

The large anisotropy in the electronic properties across a structural transition in several correlated systems has been identified as the key manifestation of electronic nematic order, breaking rotational symmetry. In this context, FeSe is…

Superconductivity emerges in proximity to a nematic phase in most iron-based superconductors. It is therefore important to understand the impact of nematicity on the electronic structure. Orbital assignment and tracking across the nematic…

Charge density waves (CDWs) underpin the electronic properties of many complex materials. Near-equilibrium CDW order is linearly coupled to a periodic, atomic-structural distortion, and the dynamics is understood in terms of amplitude and…

By means of first-principles density-functional theory (DFT) calculations, we perform a comparative analysis of the electronic and magnetic properties of transition metal-doped TiO$_2$. The electronic band gaps of Ti$_x$M$_{1-x}$O$_2$,…

A transition metal diphosphide WP2 is a candidate for type-II Weyl semimetals (WSMs) in which spatial inversion symmetry is broken and Lorentz invariance is violated. As one of the key prerequisites for the presence of the WSM state in WP2,…

The anisotropy of the electronic transition is an important physical property not only determining the materials' optical property, but also revealing the underlying character of the electronic states involved. Here we used…

CuTe is a two-dimensional (2D) layered material, yet forming a quasi-one-dimensional (quasi-1D) charge-density-wave (CDW) along the a-axis in the ab-plane at high transition temperature $T_{CDW}=335$ K. However, the anisotropic properties…

Two-dimensional materials with tunable in-plane anisotropic infrared response promise versatile applications in polarized photodetectors and field-effect transistors. Black phosphorus is a prominent example. However, it suffers from poor…