Spin-polarized type-II nodal loop and nodal surface states in hexagonal compounds ( = Li, Na, K, Rb)

T Yang, L **, Y Liu, X Zhang, X Wang - Physical Review B, 2021‏ - APS
Topological semimetals and metals have been extensively studied in nonmagnetic
materials, while those in magnetic materials are still quite rare. Here, based on first …

Negative piezoelectricity and enhanced electrical conductivity at the interfaces of two-dimensional dialkali oxide and chalcogenide monolayers

A Arora, A Rawat, A De Sarkar - Physical Review B, 2023‏ - APS
The negative piezoelectric coefficient in ferroelectric polymers has been widely studied.
However, the same in the two-dimensional (2D) materials is scarcely reported, which …

XTlO (X= K, Rb, Cs): Novel 2D semiconductors with high electron mobilities, ultra-low lattice thermal conductivities and high thermoelectric figures of merit at room …

W Fang, H Wei, X **ao, Y Chen, K Kuang, M Li… - Applied Surface …, 2022‏ - Elsevier
Thermoelectric materials have attracted much attention in recent years because of their
potential application prospects in clean energy and waste heat utilization. In this work, we …

Interfacing 2D M2X (M= Na, K, Cs; X= O, S, Se, Te) monolayers for 2D excitonic and tandem solar cells

A Rawat, A Arora, A De Sarkar - Applied Surface Science, 2021‏ - Elsevier
High photovoltaic efficiency with a staggered type II band alignment has been found in the
heterobilayers of relatively less explored dialkali metal oxides and chalcogenides, using …

Ferroelectric manipulation and enhancement of Rashba spin splitting in van der Waals heterostructures

Z Liang, J Zhang, C Hua, Y Wang, F Song - Physical Review B, 2024‏ - APS
Ferroelectric (FE) Rashba semiconductors, a class of multifunctional materials with potential
applications in spintronic devices, have attracted increasing interests recently. Herein, we …

Coexistence of ferroelectricity and ferromagnetism in one-dimensional SbN and BiN nanowires

C Yang, M Chen, S Li, X Zhang, C Hua… - … Applied Materials & …, 2021‏ - ACS Publications
Ferroelectricity exists in a variety of three-and two-dimensional materials and is of great
significance for the development of electronic devices. However, the presence of …

Tunable Topological Energy Bands in 2D Dialkali‐Metal Monoxides

C Hua, S Li, ZA Xu, Y Zheng, SA Yang… - Advanced …, 2020‏ - Wiley Online Library
Abstract 2D materials with nontrivial energy bands are highly desirable for exploring various
topological phases of matter, as low dimensionality opens unprecedented opportunities for …

A structure map for AB 2 type 2D materials using high-throughput DFT calculations

M Fukuda, J Zhang, YT Lee, T Ozaki - Materials Advances, 2021‏ - pubs.rsc.org
Using high-throughput calculations based on the density functional theory, we construct a
structure map for AB2 type monolayers of 3844 compounds which are all the combinations …

Prediction of two-dimensional 2H-M 2 O 3 (M= Ti and Zr) with strong linear and non-linear optical response in the infrared range

A Huang, L Ji, Q Li, Y Wu, Y Ding… - Journal of Materials …, 2024‏ - pubs.rsc.org
Recently, MXene-like MOenes have emerged as promising candidates for next-generation
two-dimensional optoelectronic devices due to their exceptional electrical and optical …

Single-Layer Dititanium Oxide Ti2O MOene: Multifunctional Promises for Electride, Anode Materials, and Superconductor

L Yan, T Bo, BT Wang, S Tretiak… - The Journal of Physical …, 2020‏ - ACS Publications
Using the first-principles calculations, we report the existence of the single-layer (SL)
dititanium oxide Ti2O (labeled as MOene) that constructs a novel family of MXene based on …