The magnetic properties of pressurized CsV3Sb5 calculated by using a hybrid functional
文献信息
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.
期刊推荐

Current Opinion in Colloid & Interface Science

Crystallography Reports

Acta Materialia

New Journal of Chemistry

Russian Journal of Organic Chemistry

Journal of Saudi Chemical Society

Russian Journal of Applied Chemistry

Chemistry Education Research and Practice

Current Opinion in Solid State & Materials Science

Nature Medicine
相关文献
Studying the polymerization initiation efficiency of acetophenone-type initiators via PLP-ESI-MS and femtosecond spectroscopy
Hanna A. Ernst, Andreas-Neil Unterreiner
DOI: 10.1039/C4PY00418C
Statistical terpolymers with thermo-responsive fluorescence response in an ionic liquid: effects of solvatophilicity on LCST phase separation and reversibility
Chi Zhang, Milan Maric
DOI: 10.1039/C4PY00300D
Synthesis of functionalized polyisobutylenes using the propylene epoxide/TiCl4 initiating system
Alejandra Alvarez Albarran, Elena Silantyeva, Kwang Su Seo
DOI: 10.1039/C4PY00363B
Short peptide based self-assembled nanostructures: implications in drug delivery and tissue engineering
Virander Singh Chauhan
DOI: 10.1039/C4PY00173G
Highly stable hybrid selenophene-3,4-ethylenedioxythiophene as electrically conducting and electrochromic polymers
Shijie Zhen, Shimin Zhang, Guoqun Zhao
DOI: 10.1039/C4PY00529E
Synthesis and properties of heterografted toothbrush-like copolymers with alternating PEG and PCL grafts and tunable RAFT-generated segments
Dandan Tang, Xiao Jiang, Huanhuan Liu, Cangxia Li, Youliang Zhao
DOI: 10.1039/C4PY00332B
Post-polymerization modification of reactive polymers derived from vinylcyclopropane: a poly(vinylcyclopropane) derivative with physical gelation and UCST behaviour in ethanol–water mixtures
Denis H. Seuyep N., Daniel Szopinski, Gerrit A. Luinstra, Patrick Theato
DOI: 10.1039/C4PY00740A
Switch on/off microcapsules for controllable photosensitive drug release in a ‘release-cease-recommence’ mode
Hang Lin, Wang Xiao, Si-Yong Qin, Si-Xue Cheng, Xian-Zheng Zhang
DOI: 10.1039/C4PY00564C
Self-assembly of plasma protein through disulfide bond breaking and its use as a nanocarrier for lipophilic drugs
Shudong Wang, Guangming Gong, Hua Su, Wenya Liu, Zhen Wang, Li Li
DOI: 10.1039/C4PY00212A
您可能还喜欢
什么是2,6-二溴-4,8-双[(2-乙基己基)氧基]苯并[1,2-b:4,5-b']二噻吩(CAS号:1226782-13-3)?
2,6-二溴-4,8-双[(2-乙基己基)氧基]苯并[1,2-b:4,5-b']二噻吩是一种有机化合物,分子式为C23H32Br2O2S2。该化合物具有芳香性和...
木聚硫钠(CAS号:37319-17-8)的物理化学性质是什么?
木聚硫钠通常为无色或白色结晶性粉末,具有吸湿性。其分子量约为121.11 g/mol。木聚硫钠易溶于水,不溶于醇类和其他非极性溶剂。在酸性或碱性溶液中,木聚硫钠...
2-甲氧基-4-(三氟甲基)苄溴, JRD(CAS号:886500-59-0)适用哪些法规指南?
该化合物在合成、储存和运输过程中需遵循《全球化学品统一分类和标签制度》(GHS)的健康、环境和物理危险分类。在欧洲还需符合《化学品注册、评估、授权和限制》(RE...
1,4-Diazoniabicyclo[2.2.2]octane-1,4-disulfinate(CAS号:119752-83-9)的主要用途是什么?
1,4-二氮杂双环[2.2.2]辛烷-1,4-二硫酸二酯主要用于有机合成中的保护基团,特别是在保护胺基和硫醇基方面具有广泛应用。此外,它还用于一些特殊化学反应的...
如何处理含有4-(Bromomethyl)-2-fluorobenzenesulphonamide(CAS号:1645275-47-3)的废料?
含有4-(Bromomethyl)-2-fluorobenzenesulphonamide的废液应首先进行中和处理,以降低pH值,避免对环境造成腐蚀性影响。随后...
Loureiriol(CAS号:479195-44-3)的物理化学性质是什么?
Loureiriol是一种天然化合物,其分子式为C15H22O4。Loureiriol为无色结晶性粉末,具有较高的熔点和良好的热稳定性。其相对分子质量为262....
在合成中是否有3-氨基苯甲酰苯胺(CAS号:14315-16-3)的替代品?
在合成过程中,可以考虑使用类似结构的化合物作为3-氨基苯甲酰苯胺的替代品,例如N-苯基-3-氰基苯胺或N-苯基-3-硝基苯胺等,这些化合物具有相似的化学性质,可...
4-异氰酰苯基硼酸频哪醇酯(CAS号:380430-64-8)的市场或研究趋势如何?
4-异氰酰苯基硼酸频哪醇酯主要应用于有机合成、药物化学和材料科学领域。随着绿色化学的发展,该化合物因其高效的官能团转化能力和环境友好性而受到越来越多的关注。近年...
如何储存3β-乙酰氧基-7,25-甘遂二烯-24(R)-醇(CAS号:1352001-09-2)?
3β-乙酰氧基-7,25-甘遂二烯-24(R)-醇应储存在阴凉、干燥、通风良好的地方,避免直接光照。储存容器应密封,防止空气中的水分和氧气影响化合物的稳定性。建...
如何储存4-氟-2-甲基-1H-吲哚(CAS号:1260383-51-4)?
应将4-氟-2-甲基-1H-吲哚存放在阴凉、干燥、通风良好的地方,避免直接暴露在光照下。容器应密封,避免与空气中的水蒸气接触。建议在避光、温度不超过25℃的环境...
来源期刊
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.
![6-(Benzyloxy)-8-(2-bromoacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one structure 6-(Benzyloxy)-8-(2-bromoacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one structure](https://cnstatic.chemtradehub.com/structs/926/926319-53-1-2287.webp)



