Related papers: A two-dimensional hexagonal sheet of TiO$_2$
Kitaev quantum spin liquid, massively quantum entangled states, is so scarce in nature that searching for new candidate systems remains a great challenge. Honeycomb heterostructure could be a promising route to realize and utilize such an…
Despite being successfully synthesized [Zhang $et$ $al.$, Nat. Mater. \textbf{20}, 1073 (2021)], the monolayer structure of stable hexagonal TiO$_2$ is unknown, and it is not even clear whether it can exist in a freestanding form. Through…
Numerous different crystal structures of Ta2O5 are reported in literature. Although experimentally and computationally obtained lattice parameters and mechanical properties are in excellent agreement there is a pronounced deviation when it…
An exact solution (incomplete) of the ground-state problem for an Ising model in an external field on a 3D honeycomb zigzag-ladder lattice with two types of sites is found. It is shown that the geometrical frustration due to the presence of…
In conventional theories, topological band properties are intrinsic characteristics of the bulk material and do not depend on the choice of the reference frame. In this scenario, the principle of bulk-edge correspondence can be used to…
We present the synthesis and a detail investigation of structural and magnetic properties of polycrystalline [VO(HCOO)$_2\cdot$(H$_2$O)] by means of x-ray diffraction, magnetic susceptibility, high-field magnetization, heat capacity, and…
The quest for a successful condensed matter theory that incorporates diffusion of cations, whose trajectories are restricted to a honeycomb/hexagonal pattern prevalent in honeycomb layered materials is ongoing, with the recent progress…
Layered CoO$_2$ is of great interest for its promising properties but is meta-stable in its bulk form. CoO$_2$ was synthesized by converting the quasi-one-dimensional crystal structure of bulk Ca$_3$Co$_2$O$_6$ via a hydrothermal treatment.…
The alkali halides, known as ionic crystals, have the NaCl-type or CsCl-type structure as the ground state. We study the structural, vibrational, and electronic properties of two-dimensional (2D) ionic crystals from first-principles. Two…
Kekul\'e-O order in graphene, which has recently been realized experimentally, induces Dirac electron masses on the order of $m \sim 100 \text{meV}$. We show that twisted bilayer graphene in which one or both layers have Kekul\'e-O order…
A two-dimensional second-order topological insulator exhibits topologically protected zero-energy states at its corners. In the literature, the breathing kagome lattice with nearest-neighbor hopping is often mentioned as an example of a…
We demonstrate that at a filling of $n=1.5$, an hexatic insulating state obtains in the extended Hubbard model on a triangular lattice. Composed of two tetragonal sublattices with fillings of $n=1$ and $n=2$, the insulating state is charge…
YbOCl is a representative member of the van der Waals layered honeycomb rare-earth chalcohalide REChX (RE = rare earth, Ch = O, S, Se, and Te, and X = F, Cl, Br, and I) family reported recently. Its spin ground state remains to be explored…
In this Thesis, a study of the electronic structure of two Ti-based oxide systems, TiO2 thin films and the ultra-thin LaAlO3-SrTiO3 (LAO-STO) heterojunctions, is given. A weak room-temperature ferromagnetism (FM) has been detected in…
Using series expansions around the dimer limit, we show that the ground state of the Heisenberg Antiferromagnet on the Kagome Lattice appears to be a Valence Bond Crystal (VBC) with a 36-site unit cell, and an energy per site of…
Motivated by recent experiments with ultracold magnetic atoms trapped in optical lattices where the orientation of atomic dipoles can be fully controlled by external fields, we study the ground state properties of dipolar bosons trapped in…
We show that the formation of the wetting layer and the experimentally observed continuous shift of the H2O-OH balance towards molecular water at increasing coverage on a TiO2(110) surface can be rationalized on a molecular level. The…
Li2MnO3 with a S=3/2 two-dimensional Mn honeycomb lattice has a Neel-type antiferromagnetic transition at TN=36 K with a broad maximum in the magnetic susceptibility at TM=48 K. We have investigated site percolation effects by replacing Mn…
We investigate the role of electron correlation in the electronic structure of honeycomb lattice Li$_2$RuO$_3$ using photoemission spectroscopy and band structure calculations. Monoclinic Li$_2$RuO$_3$ having Ru network as honeycomb lattice…
We report the appearance of nontrivial topological phases in a tight-binding model on the stuffed honeycomb lattice. The model contains nearest neighbor and next nearest neighbor hopping terms coupled with an additional phase depending on…