On multiferroicity of TTF-CA molecular crystal
Literature Information
Magnetic properties of the TTF-CA molecular crystal below the neutral to ionic transition temperature are studied using the embedded cluster approach in combination with density functional theory. The calculated values of the Heisenberg exchange integral between the neighboring TTF and CA molecules stacked along the crystallographic axis a suggest that the ionic phase of the TTF-CA can be described as an alternating antiferromagnetic spin-1/2 Heisenberg chain with the exchange integral J = 1124 cm−1 and the alternation parameter δ = 0.46. Although the combination of ferroelectricity of the ionic phase with the antiferromagnetic ordering renders TTF-CA multiferroic (as predicted theoretically in G. Giovannetti et al., Phys. Rev. Lett., 2009, 103, 266401), the large value of the alternation parameter should result in a nonmagnetic ground state of this phase. The dependence of the magnetic coupling parameters on the crystal structure is studied and the implications for experimental observation of magnetic properties of TTF-CA are discussed.
Related Literature
On the molecular and vibrational structure of 1,6,6aλ 4-trithiapentalenes. Analysis of the “ bell-clapper” asymmetrical S–S–S stretching mode
Jens Spanget-Larsen, Kristine B. Andersen
DOI: 10.1039/B009728O
Light-mediated controlled and classical polymerizations of less-activated monomers under high-pressure conditions
Anna Szelwicka, Anna Chrobok
DOI: 10.1039/D1PY00738F
Coagulation rates in concentrated colloidal suspensions studied by Brownian dynamics simulation
DOI: 10.1039/A904615A
Two-dimensional diffraction from enantiopure and racemic monolayers of [Ru(bpy)3]2+ intercalated into synthetic fluorohectorite
Josef Breu, Alexander Stoll, Kurt G. Lange, Thomas Probst
DOI: 10.1039/B009939M
Determination of the complex shear modulus of polymer solutions with piezoelectric resonators
DOI: 10.1039/A903596F
Adsorption in an ordered and non-interconnected mesoporous material: Single crystal porous silicon
N. Dupont-Pavlovsky
DOI: 10.1039/B009105G
You might also like
What are the main uses of 4-Nitrophenyl phosphate disodium salt hexahydrate (CAS: 333338-18-4)?
4-Nitrophenyl phosphate disodium salt hexahydrate is primarily used as a substra...
What are the main uses of 2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4)?
2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4) is widely ...
How should 2-Fluoro-4-biphenylcarboxylic acid (CAS: 137045-30-8) be stored?
2-Fluoro-4-biphenylcarboxylic acid should be stored in a cool, dry place at room...
What industries use Prednisolone-21-Carboxylic Acid (CAS: 61549-70-0)?
Prednisolone-21-Carboxylic Acid is primarily used in the pharmaceutical industry...
How should 4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) be stored?
4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) should be stored in a co...
What industries use 4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8)?
4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8) i...
What regulatory guidelines apply to dehydropachymic acid (CAS: 77012-31-8)?
Dehydropachymic acid (CAS: 77012-31-8) is regulated by various agencies. It fall...
What is the market or research trend for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic acid (CAS: 898561-66-5)?
The market and research trends for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic aci...
How should 1,10-Phenanthroline-2,9-dicarbaldehyde (CAS: 57709-62-3) be stored?
1,10-Phenanthroline-2,9-dicarbaldehyde should be stored in a cool, dry place awa...
How is 5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate (CAS: 113952-21-9) typically synthesized?
5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate can be synt...
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.














