The magnetic properties of pressurized CsV3Sb5 calculated by using a hybrid functional
Literature Information
Based on the hybrid functional, we find that at 0 GPa, pristine CsV3Sb5 has a magnetic moment of 0.28 μB per vanadium atom, which is suppressed at a pressure of 2.5 GPa resulting in a spin-crossover. Since the ground state of CsV3Sb5 with charge density wave (CDW) distortion is a non-magnetic state, the magnetic moment of V atoms in pristine CsV3Sb5 will be suppressed by the temperature-induced CDW transition at 94 K. The schematic evolution of magnetic moments as functions of pressure and temperature is presented. At low temperature, CsV3Sb5 is a rare example of materials hosting a pressure-induced magnetic moment, and we suggest that the effects of magnetic moments of V atoms should be considered for understanding its properties.
Recommended Journals

Current Opinion in Solid State & Materials Science

Nature Medicine

Drug Discovery Today

Russian Journal of Coordination Chemistry

Russian Journal of Organic Chemistry

Journal of Saudi Chemical Society

Saudi Pharmaceutical Journal

Russian Journal of General Chemistry

Russian Journal of Applied Chemistry

Chemistry Education Research and Practice
Related Literature
Novel hydroxyl-containing reduction-responsive pseudo-poly(aminoacid) via click polymerization as an efficient drug carrier
Zhigang Xie, Xuesi Chen, Xiabin Jing, Yubin Huang
DOI: 10.1039/C4PY00227J
One-pot synthesis of POSS-containing alternating copolymers by RAFT polymerization and their microphase-separated nanostructures
Zhenghe Zhang, Lizhi Hong, Yun Gao, Weian Zhang
DOI: 10.1039/C4PY00302K
Photoswitchable nanocomposites made from coumarin-functionalized cellulose nanocrystals
Mahesh V. Biyani, Christoph Weder, E. Johan Foster
DOI: 10.1039/C4PY00486H
Biocompatible and thermo-responsive nanocapsule synthesis through vesicle templating
Garbiñe Aguirre, Jose Ramos, Johan P. A. Heuts, Jacqueline Forcada
DOI: 10.1039/C4PY00297K
SET-LRP of semifluorinated acrylates and methacrylates
Shampa R. Samanta, Ruilong Cai, Virgil Percec
DOI: 10.1039/C4PY00635F
Synthesis of a multimodal molecular imaging probe based on a hyperbranched polymer architecture
Barbara E. Rolfe, Karine Mardon
DOI: 10.1039/C4PY00513A
From glycidyl carbonate to hydroxyurethane side-groups in alternating fluorinated copolymers
Roukaya Hamiye, Ali Alaaeddine, Mouhamad Awada, Benjamin Campagne, Sylvain Caillol, Sophie M. Guillaume, Bruno Ameduri, Jean-François Carpentier
DOI: 10.1039/C4PY00547C
ATRP with a light switch: photoinduced ATRP using a household fluorescent lamp
Tao Zhang, Tao Chen, Ihsan Amin, Rainer Jordan
DOI: 10.1039/C4PY00346B
A supramolecular approach for fabrication of photo-responsive block-controllable supramolecular polymers
Lichao Liu, Leilei Rui, Yun Gao, Weian Zhang
DOI: 10.1039/C4PY00645C
You might also like
What precautions should be taken when handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2)?
When handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2), it is importan...
Is 4-(4H-1,2,4-Triazol-4-yl)piperidine (CAS: 690261-92-8) safe?
4-(4H-1,2,4-Triazol-4-yl)piperidine is generally considered safe for use in phar...
How should waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) be handled?
Waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) should be collecte...
What regulatory guidelines apply to 5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3)?
5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3) is subject to regulat...
How is Methyl 3-acetamido-2-thiophenecarboxylate (CAS: 22288-79-5) typically synthesized?
Methyl 3-acetamido-2-thiophenecarboxylate can be synthesized by the reaction of ...
What is 4-Isoquinolinecarbonitrile (CAS: 34846-65-6)?
4-Isoquinolinecarbonitrile is a chemical compound with the CAS number 34846-65-6...
How should Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) be stored?
Store Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) in a cool, dry p...
What regulatory guidelines apply to 6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8)?
6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8) is subject to the...
Is (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) safe?
(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) ...
What are the physical and chemical properties of 7-bromo-3-methyl-3,4-dihydroquinazolin-4-one (CAS: 1293987-84-4)?
7-Bromo-3-methyl-3,4-dihydroquinazolin-4-one is a solid with a crystalline form....
Source Journal
Physical Chemistry Chemical Physics

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.



![Benzeneacetic acid, 2-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)- structure Benzeneacetic acid, 2-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)- structure](https://static.chemtradehub.com/structs/122/1228547-87-2-f296.webp)
