Magnetism and Distortions in Two-Dimensional Transition-Metal Dioxides: On the Quest for Intrinsic Magnetic Semiconductor Layers

2019 ◽  
Vol 124 (4) ◽  
pp. 2634-2643 ◽  
Author(s):  
F. Aguilera-Granja ◽  
A. Ayuela
Keyword(s):  
Transition Metal ◽  
Magnetic Semiconductor ◽  
Two Dimensional ◽  
Metal Dioxides

scholarly journals First-principles Investigations of Magnetic Semiconductors: An example of Transition Metal Decorated Two-dimensional SnS Monolayer

Nanomaterials ◽  
2018 ◽  
Vol 8 (10) ◽  
pp. 789 ◽  
Author(s):  
Fangfang Wang ◽  
Liyu Zhou ◽  
Zhen Ma ◽  
Mingxue He ◽  
Fang Wu ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Magnetic Semiconductors ◽  
Magnetic Moments ◽  
Magnetic Semiconductor ◽  
Two Dimensional ◽  
Semiconducting Materials ◽  
2D Semiconductors ◽  
The Stability ◽  
Intact Surface

The absence of magnetic moments in pristine two-dimensional (2D) semiconducting materials has attracted many research interests. Transition-metal (TM) decoration has been found to be an effective strategy to introduce magnetic moments in non-magnetic 2D semiconductors. However, the stability of TM atoms modified 2D semiconductors has not been well explored. Here, taking 2D Tin (II) sulfide (SnS) monolayer as a prototype, we explored the stability of magnetic semiconductors through this method. In our studies, all possible configurations of TM decoration have been considered, namely, adsorption on the intact surface, S vacancy, and Sn vacancy. Based on the energy gain and electronic analysis, our results revealed that most of the TM atoms will form a cluster, and only several TM atoms can be effectively doped into the SnS monolayer. Furthermore, the band calculations showed that only Mn substitution will give rise to a magnetic semiconductor. Thus, the reported results here provide some hidden information for further realization of the magnetic semiconductors and serve as a paradigm to prepare 2D magnetic semiconductors.

Electronic properties of quasi two-dimensional transition metals chalcogenides with low-dimensional magnetism

Doklady BGUIR ◽  
2020 ◽  
Vol 18 (7) ◽  
pp. 87-95
Author(s):  
M. S. Baranava ◽  
P. A. Praskurava
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Exchange Interaction ◽  
Electronic Properties ◽  
Metal Atom ◽  
Transition Metal Atom ◽  
Two Dimensional ◽  
Transition Metal Atoms ◽  
Ground Magnetic ◽  
Low Dimensional

The search for fundamental physical laws which lead to stable high-temperature ferromagnetism is an urgent task. In addition to the already synthesized two-dimensional materials, there remains a wide list of possible structures, the stability of which is predicted theoretically. The article suggests the results of studying the electronic properties of MAX3 (M = Cr, Fe, A = Ge, Si, X = S, Se, Te) transition metals based compounds with nanostructured magnetism. The research was carried out using quantum mechanical simulation in specialized VASP software and calculations within the Heisenberg model. The ground magnetic states of twodimensional MAX3 and the corresponding energy band structures are determined. We found that among the systems under study, CrGeTe3 is a semiconductor nanosized ferromagnet. In addition, one is a semiconductor with a bandgap of 0.35 eV. Other materials are antiferromagnetic. The magnetic moment in MAX3 is localized on the transition metal atoms: in particular, the main one on the d-orbital of the transition metal atom (and only a small part on the p-orbital of the chalcogen). For CrGeTe3, the exchange interaction integral is calculated. The mechanisms of the formation of magnetic order was established. According to the obtained exchange interaction integrals, a strong ferromagnetic order is formed in the semiconductor plane. The distribution of the projection density of electronic states indicates hybridization between the d-orbital of the transition metal atom and the p-orbital of the chalcogen. The study revealed that the exchange interaction by the mechanism of superexchange is more probabilistic.

scholarly journals Visualization of Multifractal Superconductivity in a Two-Dimensional Transition Metal Dichalcogenide in the Weak-Disorder Regime

Nano Letters ◽  
2020 ◽  
Vol 20 (7) ◽  
pp. 5111-5118 ◽  
Author(s):  
Carmen Rubio-Verdú ◽  
Antonio M. Garcı́a-Garcı́a ◽  
Hyejin Ryu ◽  
Deung-Jang Choi ◽  
Javier Zaldı́var ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional ◽  
Weak Disorder

scholarly journals Super-resolved Optical Mapping of Reactive Sulfur-Vacancies in Two-Dimensional Transition Metal Dichalcogenides

ACS Nano ◽  
2021 ◽  
Author(s):  
Miao Zhang ◽  
Martina Lihter ◽  
Tzu-Heng Chen ◽  
Michal Macha ◽  
Archith Rayabharam ◽  
...  
Keyword(s):  
Transition Metal ◽  
Optical Mapping ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Metal Dichalcogenides

Combined Healing and Doping of Transition Metal Dichalcogenides Through Molecular Functionalization

2021 ◽  
Author(s):  
Sai Manoj Gali ◽  
David Beljonne
Keyword(s):  
Transition Metal ◽  
Charge Transport ◽  
2D Materials ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Metal Dichalcogenides

Transition Metal Dichalcogenides (TMDCs) are emerging as promising two-dimensional (2D) materials. Yet, TMDCs are prone to inherent defects such as chalcogen vacancies, which are detrimental to charge transport. Passivation of...

Two dimensional CrGa2Se4: A spin-gapless ferromagnetic semiconductor with inclined uniaxial anisotropy

Nanoscale ◽  
2021 ◽  
Author(s):  
Qian Chen ◽  
Ruqian Wang ◽  
Zhaocong Huang ◽  
Shijun Yuan ◽  
Haowei Wang ◽  
...  
Keyword(s):  
Critical Temperature ◽  
Material Science ◽  
2D Materials ◽  
Uniaxial Anisotropy ◽  
Magnetic Semiconductor ◽  
Ferromagnetic Semiconductor ◽  
Two Dimensional ◽  
High Critical Temperature

The magnetic semiconductor with high critical temperature has long been the focus in material science and recently is also known as one of the fundamental questions in two-dimensional (2D) materials....

scholarly journals Correction to “Rational Passivation of Sulfur Vacancy Defects in Two-Dimensional Transition Metal Dichalcogenides”

ACS Nano ◽  
2021 ◽  
Author(s):  
Hope Bretscher ◽  
Zhaojun Li ◽  
James Xiao ◽  
Diana Yuan Qiu ◽  
Sivan Refaely-Abramson ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Sulfur Vacancy ◽  
Vacancy Defects ◽  
Metal Dichalcogenides
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