Topological half-metallic features in alkali metal doped monolayers
F Wang, Y Zhang, W Yang, J Zhang, H Zhang, X Xu - Physical Review B, 2023 - APS
Two-dimensional (2D) topological half metals, namely, empowering nontrivial topological
states with 100% spin-polarized 2D systems, may find important applications in low …
states with 100% spin-polarized 2D systems, may find important applications in low …
First principle calculations to explore the electronic, mechanical and optical properties of 2D NiX2 (X= O, S, Se) monolayers
This investigation employs ab-initio calculations to investigate the structural, dynamical,
mechanical, and optoelectronic attributes of 1T-NiX 2 (X= O, S, Se) monolayers. The …
mechanical, and optoelectronic attributes of 1T-NiX 2 (X= O, S, Se) monolayers. The …
Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal …
Since the successful synthesis of bulk single crystals MoN 2 and ReN 2, which have a
layered structure, transition-metal dinitrides have attracted considerable attention in recent …
layered structure, transition-metal dinitrides have attracted considerable attention in recent …
Room-temperature ferromagnetic half-metallicity of two-dimensional oxyhalides CrOX2 (X= F, Cl) monolayers
X Gu, X Li, Y Diao, Z Lu, Z Dong, H Fu… - Computational Materials …, 2023 - Elsevier
Abstract Two-dimensional (2D) materials with room-temperature ferromagnetism and
intrinsic wide half-metallic gap are superb candidates for pure spin generation, injection …
intrinsic wide half-metallic gap are superb candidates for pure spin generation, injection …
Intrinsic Ferromagnetism in 2D Fe2H with a High Curie Temperature
S Ding, X Yan, A Bergara, X Zhang, Y Liu… - ACS Applied Materials …, 2022 - ACS Publications
The rational design of ferromagnetic materials is crucial for the development of spintronic
devices. Using first-principles structural search calculations, we have identified 73 two …
devices. Using first-principles structural search calculations, we have identified 73 two …
Prediction of a new 2D topological insulator: Pmmn-PtO2
B Yin, L Yang, S He, P Zhou, J Zhang, Z Yang… - Materials Today …, 2023 - Elsevier
ABSTRACT Two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted
much attention in recent years because of their unique and extraordinary properties. In this …
much attention in recent years because of their unique and extraordinary properties. In this …
Hinge-like Co2S3 and Co2Te3 Nanosheets: Promising Two-Dimensional Optical, Thermoelectric, and Spintronic Materials
In this study, the structural and physical properties of hinge-like Co2S3 and Co2Te3
nanosheets are predicted using spin-polarized density functional theory. Our calculations …
nanosheets are predicted using spin-polarized density functional theory. Our calculations …
A metastable Cr4+-compound AlCrO3+ δ, δ≤ 0.5, grown at a nanocolloid, and its ultraviolet absorption, phonon bands, and dielectric properties
Abstract AlCrO 3+ δ, δ≤ 0.5, is a Cr 4+: CrO 2 product of a metastable compound of two
types Cr 4+− 3d 2 electrons that determine its spin degree of freedom and allied …
types Cr 4+− 3d 2 electrons that determine its spin degree of freedom and allied …
Layered CrO 2· n H 2 O as a cathode material for aqueous zinc-ion batteries: ab initio study
L Liu, Z He, B Wu, H Song, X Zhong, J Wang… - Physical Chemistry …, 2024 - pubs.rsc.org
Aqueous zinc-ion batteries are considered potential large-scale energy storage systems due
to their low cost, environmentally friendly nature, and high safety. However, the development …
to their low cost, environmentally friendly nature, and high safety. However, the development …
Room-temperature Ferromagnetism, Half-metallicity and Spin Transport in Monolayer CrSc2Te4-Based Magnetic Tunnel Junction Devices
R Yue, X Su, X Lv, B Zhang, S Su, H Li… - Physical Chemistry …, 2024 - pubs.rsc.org
The discovery of novel two-dimensional (2D) half-metallic materials with robust
ferromagnetic (FM) order and high Curie temperature (Tc) is attractive for the advancement …
ferromagnetic (FM) order and high Curie temperature (Tc) is attractive for the advancement …