相关论文: Fe-DCA Metal-Organic Frameworks on the Bi2Se3(0001…
Metal-organic frameworks (MOFs) have emerged as promising materials for carbon capture applications due to their high CO2 capacities and tunable properties. Amongst the many possible MOFs, metal-substituted compounds based on M-DOBDC and…
We theoretically investigate the possibility of establishing ferromagnetism in the topological insulator Bi2Se3 via magnetic doping of 3d transition metal elements. The formation energies, charge states, band structures, and magnetic…
Metal-organic frameworks (MOFs) are highly porous and versatile materials studied extensively for applications such as carbon capture and water harvesting. However, computing phonon-mediated properties in MOFs, like thermal expansion and…
Inducing a magnetic gap at the Dirac point of the topological surface state (TSS) in a 3D topological insulator (TI) is a route to dissipationless charge and spin currents. Ideally, magnetic order is present only at the surface and not in…
Relying on the magnetism induced by the proximity effect in heterostructures of topological insulators and magnetic insulators is one of the promising routes to achieve the quantum anomalous Hall effect. Here we investigate heterostructures…
Metal-organic frameworks (MOFs) exhibit great promise for CO2 capture. However, finding the best performing materials poses computational and experimental grand challenges in view of the vast chemical space of potential building blocks.…
2D topological insulators promise novel approaches towards electronic, spintronic, and quantum device applications. This is owing to unique features of their electronic band structure, in which bulk-boundary correspondences enforces the…
We grow nearly freestanding single-layer 1T'-WTe2 on graphitized 6H-SiC(0001) by using molecular beam epitaxy (MBE), and characterize its electronic structure with scanning tunneling microscopy / spectroscopy (STM/STS). We demonstrate the…
The interface between a superconductor and a topological insulator has been proposed to harbor novel quasiparticles that realize physical schemes for fault-tolerant quantum computation. Here, we present high resolution angle-resolved…
We discuss physical properties of `integer' topological phases of bosons in D=3+1 dimensions, protected by internal symmetries like time reversal and/or charge conservation. These phases invoke interactions in a fundamental way but do not…
The evolution of the physical properties of two-dimensional material from monolayer limit to the bulk reveals unique consequences from dimension confinement and provides a distinct tuning knob for applications. Monolayer 1T'-phase…
Inducing magnetic orders in a topological insulator (TI) to break its time reversal symmetry has been predicted to reveal many exotic topological quantum phenomena. The manipulation of magnetic orders in a TI layer can play a key role in…
Inspired by recent experimental observations of hybrid topological states [Hossain et al. Nature 628, 527 (2024)], we predict hybrid-order topological insulators in 1H transition metal compounds (TMCs), where both second-order and…
We report a molecular-dynamics simulation of a single-component system of particles interacting via a spherically symmetric potential that is found to form, upon cooling from a liquid state, a low-density porous crystalline phase. Its…
Metal-organic frameworks (MOFs) provide a versatile and tailorable material platform that embody many desirable attributes for photocatalytic water-splitting. The approach taken in this study was to use Density Functional Theory (DFT) to…
Advances in generative artificial intelligence are transforming how metal-organic frameworks (MOFs) are designed and discovered. This Perspective introduces the shift from laborious enumeration of MOF candidates to generative approaches…
Single-Dirac-cone topological insulators (TI) are the first experimentally discovered class of three dimensional topologically ordered electronic systems, and feature robust, massless spin-helical conducting surface states that appear at…
Outstanding functional tunability underpinning metal-organic framework (MOF) confers a versatile platform to contrive next-generation chemical sensors, optoelectronics, energy harvesters and converters. We report a rare exemplar of a porous…
Quantum spin Hall insulators, or synonymously known as 2D topological insulators, are crucial 2D systems hosting topologically protected edge states. The working temperature of this topological quantum phase is dictated by the inverted…
Recent years have seen multiple high-throughput studies reveal an immense number of topological materials through use of symmetry indicators. Despite this success, three-dimensional topological insulators (TI) admitting a band-gap larger…