相关论文: Three metallic BN polymorphs: 1D multi-threaded co…
Two dimensional materials are attracting new research for optoelectronics and spintronics due to their unique physical properties. A wide range of emerging spintronic devices are achieved from parent and doped two dimensional materials.…
Results of first principles augmented spherical wave electronic structure calculations for niobium dioxide are presented. Both metallic rutile and insulating low-temperature NbO2, which crystallizes in a distorted rutile structure, are…
Using first-principles calculations in combination with the Eliashberg formalism, we systematically investigated phonon-mediated superconductivity in two-dimensional (2D) metal-boride crystals, consisting of a boron honeycomb network doped…
The architecture of novel metallic mesostructures obtained via self-organization of growing nanowires has been investigated. Seashell, fungus and lotus leafshaped structures are reproducibly formed by programmable pulse current…
Copper interconnects in modern integrated circuits require ultra-thin barriers to prevent intermixing of Cu with surrounding dielectric materials. Conventional barriers rely on metals like TaN, however their finite thickness reduces the…
Microstructure and mechanical properties of bulk polycristalline rhombohedral boron subnitride B13N2 synthesized by crystallization from the B-BN melt at 7 GPa have been systematically studied by micro- and nanoindentation, atomic force…
The development of new materials is a core aspect of advancement in synthesis and application for industry. There is a vast number of possible chemical permutations of the basic elements that can be explored to synthesize materials that…
The exploration of superconductivity dominated by structural units is of great interest in condense matter physics. MgB2, consisting of graphene-like B, becomes a typical representative of traditional superconductors. Phosphorus…
The structure of MX3 transition metal trichalcogenides (TMTs, with M a transition metal and X a chalcogen) is typified by one-dimensional (1D) chains weakly bound together via van der Waals interactions. This structural motif is common…
Among exciting recent advances in the field of two-dimensional (2D) materials, the successful fabrications of the C60 fullerene networks has been a particularly inspiring accomplishment. Motivated by the recent achievements, herein we…
The hydrogen trapping behaviour of metallic alloys is generally characterised using Thermal Desorption Spectroscopy (TDS). However, as an indirect method, extracting key parameters (trap binding energies and densities) remains a significant…
This work describes the implementation of a genetic algorithm-based strategy combined with first-principles computations for identifying the structure of the most stable boron 1D structures. We focus our attention on the structure of…
Nodal line semimetals are characterized by symmetry-protected band crossing lines and are expected to exhibit nontrivial electronic properties. Connections of the multiple nodal lines, resulting in nodal nets, chains, or links, are…
A silicene-like polymorph of the Si111 7x7 surface is proposed that resolves numerous experimental paradoxes and inconsistencies arising over the past 34 years. An analysis of the three established surface state charge densities from atom…
Organic metal halide hybrids with low-dimensional structures at the molecular level have received great attention recently for their exceptional structural tunability and unique photophysical properties. Here we report for the first time…
Inverse design of materials with desired properties is currently laborious and heavily relies on intuition of researchers through a trial-and-error process. The massive combinational spaces due to the constituent elements and their…
We report three-dimensional (3D) structure determination of a twisted hexagonal boron nitride (h-BN) heterointerface from a single-view data set using multislice ptychography. We identify the buried heterointerface between two twisted h-BN…
Finding an effective and controllable way to create a sizable energy gap in graphene-based systems has been a challenging topic of intensive research. We propose that the hybrid of boron nitride and graphene (h-BNC) at low BN doping serves…
Cyano-bridged bimetallic hybrid Prussian Blue one- to three-dimensional (1D-3D) coordination polymers based on [M(CN)6]3- (M = Fe, Cr, Mn) have attracted great attention because of their rich and interesting structures and magnetic…
Electronic correlations lead to heavy quasiparticles in three-dimensional (3D) metals, and their collapse can destabilize magnetic moments. It is an open question whether there is an analogous instability in one-dimensional (1D) systems,…