Related papers: A Layered Spin 1/2 polymorph of titanium triiodide

Recent progress in the field of topological states of matter(1,2) has largely been initiated by the discovery of bismuth and antimony chalcogenide bulk topological insulators (TIs)(3-6), followed by closely related ternary compounds(7-16)…

Large-gap quantum spin Hall insulators are promising materials for room-temperature applications based on Dirac fermions. Key to engineer the topologically non-trivial band ordering and sizable band gaps is strong spin-orbit interaction.…

We present a comprehensive study of single crystals of Na2Co2TeO6, a putative Kitaev honeycomb magnet, focusing on its low-temperature phase behaviors. A new thermal phase transition is identified at 31.0 K, below which the system develops…

A Kitaev-Heisenberg-J2-J3 model is proposed to describe the Mott-insulating layered iridates A2IrO3 (A=Na,Li). The model is a combination of the Kitaev honeycomb model and the Heisenberg model with all three nearest neighbor couplings J1,…

Fifteen years since its inception, the Kitaev model still boasts only a narrow group of material realizations. We review the progress in studying and understanding one of them, lithium iridate Li$_2$IrO$_3$ available in three polymorphs…

The recent discovery of higher-order topological insulators (TIs) has opened new possibilities in the search for novel topological materials and metamaterials. Second-order TIs have been implemented in two-dimensional (2D) systems…

This thesis investigates a transformation path between the Th3P4-type and the spinel-type structures of hafnium (IV) and titanium (IV) nitride, M3N4 (M = Hf, Ti) with computational methods. For both compounds, the Th3P4-type was synthesized…

We investigate the thermodynamic properties of the ytterbium-based triangular lattice compound Ba3Yb(BO3)3. The results demonstrate the absence of any long-range ordering down to 56 mK. Analysis of the magnetization, susceptibility and…

Despite great technological importance and many investigations, a material with measured hardness comparable to that of diamond or cubic boron nitride has yet to be identified. Combined theoretical and experimental investigations led to the…

We report the synthesis and characterization of a new quantum magnet [2-[Bis(2-hydroxybenzyl)aminomethyl]pyridine]Ni(II)-trimer (BHAP-Ni3) in single-crystalline form. Our combined experimental and theoretical investigations reveal an exotic…

Magnetic exchange interactions are mediated via orbital overlaps across chemical bonds. Thus, modifying the bond angles by physical pressure or strain can tune the relative strength of competing interactions. Here we present a remarkable…

We study the ground state and spin excitations in Ba3MnSb2O9, an easy-plane S = 5/2 triangular lattice antiferromagnet. By combining single-crystal neutron scattering, electric spin resonance (ESR), and spin wave calculations, we determine…

Layer-structured materials are often considered to be good candidates for thermoelectric materials, because they tend to exhibit intrinsically low thermal conductivity as a result of atomic interlayer interactions. The electrical properties…

A new two-dimensional (2D) layered material, namely, titanium trisulfide (TiS$_3$) monolayer sheet, is predicted to possess desired electronic properties for nanoelectronic applications. On basis of the first-principles calculations within…

The inherent trade-off between ultra-low thermal conductivity and high mechanical rigidity in natural materials limits their utility in advanced applications. Inspired by the unique architecture of layered honeycomb structures, this study…

The structural and magnetic properties of a new series of iridium-based honeycomb lattices with the formula Na3-delta(Na1-xMgx)Ir2O6 (x = 0 to 1) are reported. As x and delta are increased, the honeycomb lattice contracts and the strength…

Recent theoretical studies have suggested that Kitaev physics and such effects as formation of a mysterious spin-liquid state can be expected not only in RuCl3 and iridates, but also in conventional $3d$ transition metal compounds. Using DC…

We report synthesis, characterization, and physical properties of layered bismuth-sulfide compounds La2O2Bi3-xPb1+xS6. We synthesized a new La2O2Bi3PbS6 compound, whose crystal structure is similar to those of the La2O2Bi3AgS6…

Three dimensional topological insulator crystals consist of an insulating bulk enclosed by metallic surfaces, and detailed theoretical predictions about the surface state band topology and spin texture are available. While several…

We report on the ab initio discovery of a novel putative ground state for quasi two-dimensional TiO$_2$ through a structural search using the minima hopping method with an artificial neural network potential. The structure is based on a…