Electronic structure modeling of metal–organic frameworks

JL Mancuso, AM Mroz, KN Le, CH Hendon - Chemical reviews, 2020 - ACS Publications
Owing to their molecular building blocks, yet highly crystalline nature, metal–organic
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …

Exotic topological bands and quantum states in metal–organic and covalent–organic frameworks

W Jiang, X Ni, F Liu - Accounts of Chemical Research, 2021 - ACS Publications
Conspectus Metal–organic and covalent–organic frameworks (MOFs/COFs) have been
extensively studied for fundamental interests and their promising applications, taking …

Intrinsic Dirac half-metal and quantum anomalous Hall phase in a hexagonal metal-oxide lattice

S Zhang, C Zhang, S Zhang, W Ji, P Li, P Wang, S Li… - Physical Review B, 2017 - APS
The quantum anomalous Hall (QAH) effect has attracted extensive attention due to time-
reversal symmetry broken by a staggered magnetic flux emerging from ferromagnetic …

Self-assembly of metal–organic coordination structures on surfaces

L Dong, ZA Gao, N Lin - Progress in Surface Science, 2016 - Elsevier
Metal–organic coordination structures are materials comprising reticular metal centers and
organic linkers in which the two constituents bind with each other via metal–ligand …

Screening two-dimensional materials with topological flat bands

H Liu, S Meng, F Liu - Physical Review Materials, 2021 - APS
The topological flat band (TFB) has been proposed theoretically in various lattice models, to
exhibit a rich spectrum of intriguing physical behaviors. However, the experimental …

[HTML][HTML] Two-dimensional Dirac materials: Tight-binding lattice models and material candidates

R Fan, L Sun, X Shao, Y Li, M Zhao - ChemPhysMater, 2023 - Elsevier
The discovery of graphene has led to the devotion of intensive efforts, theoretical and
experimental, to produce two-dimensional (2D) materials that can be used for developing …

Diradicals as Topological Charge Carriers in Metal–Organic Toy Model Pt3(HIB)2

MG Goesten, LM Schoop - Journal of the American Chemical …, 2024 - ACS Publications
We explore the eclipsed stacking of a metal–organic Kagome lattice containing heavy-metal
nodes. Our model is Pt3 (HIB) 2, a hypothetical but viable member of a well-known family of …

On-Surface Synthesis: A New Route Realizing Single-Layer Conjugated Metal–Organic Structures

J Liu, M Abel, N Lin - The Journal of Physical Chemistry Letters, 2022 - ACS Publications
Recently, both experimental and theoretical advances have demonstrated that two-
dimensional conjugated metal–organic frameworks (2D-cMOFs) exhibit interesting …

First-principles design of a half-filled flat band of the kagome lattice in two-dimensional metal-organic frameworks

MG Yamada, T Soejima, N Tsuji, D Hirai, M Dincă… - Physical Review B, 2016 - APS
We design from first principles a type of two-dimensional metal-organic framework (MOF)
using phenalenyl-based ligands to exhibit a half-filled flat band of the kagome lattice, which …

Discovery of intrinsic quantum anomalous Hall effect in organic Mn-DCA lattice

Y Wang, W Ji, C Zhang, P Li, P Wang, B Kong… - Applied Physics …, 2017 - pubs.aip.org
The quantum anomalous Hall (QAH) phase is a topological state of matter characterized by
a nonzero quantized Hall conductivity without an external magnetic field. The realizations of …