Related papers: Anomalous orbital structure in two-dimensional tit…

Density functional calculations are used to investigate the electronic structure of two-dimensional 5d tantalum carbides with honeycomb-like lattice structures. We focus on changes in the low-energy bands near the Fermi level with…

Transition-metal dichalcogenides (TMDs) offer an extremely rich material platform in the exploration of unconventional superconductivity. The unconventional aspects include exotic coupling mechanisms such as the Ising pairing, a complex…

We have used angle resolved photoemission spectroscopy to investigate the band structure of ReS$_2$, a transition-metal dichalcogenide semiconductor with a distorted 1T crystal structure. We find a large number of narrow valence bands,…

Electronic and topological properties of materials are derived from the interplay between crystalline symmetry and dimensionality. Simultaneously introducing 'forbidden' symmetries via quasiperiodic ordering with low-dimensionality into a…

We use the density functional theory and lattice dynamics calculations to investigate the properties of potassium superoxide KO$_2$ in which spin, orbital, and lattice degrees of freedom are interrelated and determine the low-temperature…

We report first principles calculations, within density functional theory, of copper intercalated titanium diselenides, CuxTiSe2, for values of x ranging from 0 to 0.11. The effect of intercalation on the energy bands and densities of…

The layered transition metal chalcogenides have been a fertile land in solid state physics for many decades. Various MX2-type transition metal dichalcogenides, such as WTe2, IrTe2, and MoS2, have triggered great attention recently, either…

The wave-like nature of electrons is evident from quantum interference effects observed during the photoemission process. When there are different nuclei in the unit cell of a crystal and/or structural distortions, photo-electron…

Using a symmetry-based atomic scale theory of lattice distortions, we demonstrate that elastic textures, such as twin and antiphase boundaries, can generate intricate electronic inhomogeneities in materials with strong electron-lattice…

In this work, we have systematically studied structural, electronic and magnetic properties of atomic scale defects in 2D transition metal dichalcogenides MX$_2$, (M = Mo and W; X = S, Se and Te) by density functional theory. Various types…

We study the dependence of the electronic structure of iron pnictides on the angle formed by the arsenic-iron bonds. Within a Slater-Koster tight binding model which captures the correct symmetry properties of the bands, we show that the…

CaFe2As2 exhibits collapsed tetragonal (cT) structure and varied exotic behavior under pressure at low temperatures that led to debate on linking the structural changes to its exceptional electronic properties like superconductivity,…

The electronic structure of the nanolaminated transition metal carbide Ti2AlC has been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Ti L, C K and Al L emission spectra are compared with calculated spectra…

Because of their unique and rich physical properties, transition metal dichalcogenides (TMDs) materials have attracted much interest. Many studies suggest that introducing the degree of freedom of anisotropy, which may be brought about by…

Despite considerable interest in layered transition metal dichalcogenides (TMDs), such as MX2 with M = (Mo, W) and X = (S, Se, Te), the physical origin of their topological nature is still poorly understood. In the conventional view of…

In strongly correlated transition metal dichalcogenides, an intricate interplay of polaronic distortions, stacking arrangement, and electronic correlations determines the nature of the insulating state. Here, we study the response of the…

Recent reports on a family of kagome metals of the form LnTi3Bi4 (Ln = Lanthanide) has stoked interest due to the combination of highly anisotropic magnetism and a rich electronic structure. The electronic structure near the Fermi level is…

We discuss the ground state of a two dimensional electron-lattice system described by a Su-Schrieffer-Heeger type Hamiltonian with a half-filled electronic band, for which it has been pointed out in the previous paper [J. Phys. Soc. Jpn. 69…

We elucidate the transport properties and electronic structures of distorted rutile-type WO2. Electrical resistivity and Hall effect measurements of high-quality single crystals revealed the transport property characteristics of topological…

A new frontier in condensed matter physics is to stack atomically thin layered-materials with different properties and create intriguing phenomena which do not exist in any of the constituent layers. Transition metal dichalcogenide…