Structural dimerization and charge-orbital ordering in a ferromagnetic semiconductor LiV2S4 monolayer

Literature Information

Publication Date 2023-11-23
DOI 10.1039/D3CP04560A
Impact Factor 3.676
Authors

Rui Song, Bili Wang, Kai Feng, Jia Yao, Mengjie Lu, Jing Bai, Shuai Dong, Ming An


View Original

Abstract

With the rise of two-dimensional (2D) materials, unique properties that are completely distinct from bulk counterparts continue to emerge at low-dimensional scales, presenting numerous opportunities and challenges. It also provides a new perspective for the study of transition metal systems. Here, based on density functional theory (DFT), the physical properties of 2D monolayer LiV2S4 have been studied. Remarkable changes have been observed, i.e., vanadium dimerization, ferromagnetism, charge distribution and metal–insulator transition (MIT). It is argued that the electronic instability leads to the V dimerization, which further lifts the degeneracy of charge distribution and stabilizes the charge and spin ordering state.

Related Literature

Microseconds, milliseconds and seconds: deconvoluting the dynamic behaviour of planar perovskite solar cells

Adam Pockett, Nobuya Sakai, Henry J. Snaith, Laurence M. Peter, Petra J. Cameron

2017-01-20 Paper

DOI: 10.1039/C6CP08424A

Accelerated evaporation of water on graphene oxide

Rongzheng Wan, Guosheng Shi

2017-03-06 Paper

DOI: 10.1039/C7CP00553A

Calculations of current densities for neutral and doubly charged persubstituted benzenes using effective core potentials

Markus Rauhalahti, Stefan Taubert, Dage Sundholm, Vincent Liégeois

2017-02-13 Paper

DOI: 10.1039/C7CP00194K

The effect of interligand energy transfer on the emission spectra of heteroleptic Ir complexes

Yang-Jin Cho, So-Yoen Kim, Ho-Jin Son, Sang Ook Kang

2017-03-02 Paper

DOI: 10.1039/C7CP00500H

Steam reforming of methanol over oxide decorated nanoporous gold catalysts: a combined in situ FTIR and flow reactor study‡

J. Shi, C. Mahr, M. M. Murshed, T. M. Gesing, A. Rosenauer, M. Bäumer, A. Wittstock

2017-03-07 Paper

DOI: 10.1039/C6CP08849J

Valence band dispersion measurements of perovskite single crystals using angle-resolved photoemission spectroscopy

Congcong Wang, Benjamin R. Ecker, Haotong Wei, Jinsong Huang, Jian-Qiao Meng, Yongli Gao

2017-01-11 Paper

DOI: 10.1039/C6CP07176G

Successive lithiation of acetylene, ethylene and benzene: a comprehensive computational study of large static second hyperpolarizability

Avijit Mondal, Kaushik Hatua, Ria Sinha Roy, Prasanta K. Nandi

2017-01-16 Paper

DOI: 10.1039/C6CP07845A

You might also like

Compound Q&A

How should 2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) be stored?

2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) should be stored in ...

615-45-22-Methylbenzene-1,4-...
Compound Q&A

Is (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS: 132747-20-7) safe?

(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide is generally considered sa...

132747-20-7(1S,4S)-2,5-Diazabic...
Compound Q&A

What industries use (6-Chloropyridazin-3-YL)methanamine (CAS: 871826-15-2)?

(6-Chloropyridazin-3-YL)methanamine finds applications in the pharmaceutical ind...

871826-15-2(6-Chloropyridazin-3...
Compound Q&A

What are the main uses of 2-Fluoro-3-methylphenol (CAS: 77772-72-6)?

2-Fluoro-3-methylphenol is primarily used in the synthesis of pharmaceuticals, p...

77772-72-62-Fluoro-3-methylphe...
Compound Q&A

What precautions should be taken when handling 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?

When handling 3-Methoxy-4-nitrobenzonitrile, it is important to wear appropriate...

177476-75-43-Methoxy-4-nitroben...
Compound Q&A

What precautions should be taken when handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4)?

When handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4), it is ...

211949-57-4[1,3]Oxazolo[4,5-b]p...
Compound Q&A

What regulatory guidelines apply to 4-Ethynylbenzamide (CAS: 90347-86-7)?

4-Ethynylbenzamide (CAS: 90347-86-7) falls under various regulatory guidelines i...

90347-86-74-Ethynylbenzamide
Compound Q&A

What are the main uses of 3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone (CAS: 186822-57-1)?

3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone is primarily used as an intermediat...

186822-57-13-(2-Ethylphenyl)-2-...
Compound Q&A

What is (2-Fluoro-6-methoxyphenyl)acetic acid (CAS: 500912-19-6)?

(2-Fluoro-6-methoxyphenyl)acetic acid, also known as 4-fluoro-3-methoxybenzoic a...

500912-19-6(2-Fluoro-6-methoxyp...
Compound Q&A

What is the market or research trend for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9)?

Market trends for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9) indicat...

102196-18-92-[4-(Hydroxymethyl)...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.