Multimodeling Approach to Ferromagnetic Spin-Wave Excitations in the High-Spin Cluster Mn18 Sr Observed by Inelastic Neutron Scattering

Inorganic Chemistry
Siyavash NekuruhOliver Waldmann

Abstract

The magnetism of the mixed-valence high-spin cluster [Mn18SrO8(N3)7Cl(MedhmpH)12(MeCN)6]Cl2 (1) exhibiting intramolecular ferromagnetic interactions was studied using inelastic neutron scattering (INS), and reliable values for the exchange coupling constants were determined based on the quality of simultaneous fits to the INS and magnetic data. The challenge of the huge size of the Hilbert space (3 375 000) and many exchange coupling constants (7 assuming a C3 symmetry) generally encountered in large spin clusters was resolved as follows: (a) The results of the restricted Hilbert space ferromagnetic cluster spin wave theory were compared to the experimental spectroscopic data. The observed INS transitions were thus assigned to spin wave excitations in a bounded ferromagnetic spin cluster and moreover could be visualized in a straightforward way based on this theory. (b) Simultaneously, Quantum Monte Carlo (QMC) calculations of the temperature-dependent magnetic susceptibility with the same parameter set were compared to the experimental data. Application of state-of-the-art QMC algorithms, as available in the open source ALPS package, in ferromagnetic clusters avoids the full Hamiltonian diagonalization without sacrificing calc...Continue Reading

References

Apr 30, 2003·Journal of Computational Chemistry·Eliseo RuizPere Alemany
Jul 6, 2006·Angewandte Chemie·Ayuk M AkoAnnie K Powell
Jul 13, 2006·The Journal of Physical Chemistry. a·Liviu F ChibotaruArnout Ceulemans
May 21, 2008·Journal of the American Chemical Society·Eliseo RuizSantiago Alvarez
May 10, 2011·Chemical Society Reviews·Joel S Miller, Dante Gatteschi
Jun 24, 2011·Nature Chemistry·Jeffrey D RinehartJeffrey R Long
Apr 3, 2012·Physical Review Letters·C J WedgeA Ardavan
Dec 4, 2013·Chemical Society Reviews·Yan-Zhen ZhengRichard E P Winpenny
Mar 15, 2014·Chemical Communications : Chem Comm·Kasper S PedersenRodolphe Clérac
Oct 14, 2014·Nature Communications·Eufemio Moreno PinedaRichard E P Winpenny
Oct 23, 2014·Nature Communications·Joseph W SharplesMarco Evangelisti
Jan 7, 2015·Nature Communications·Soonchul KangOsamu Sato
Feb 18, 2016·Journal of the American Chemical Society·Yan-Cong ChenMing-Liang Tong
Apr 30, 2016·Nature Communications·Marc GanzhornWolfgang Wernsdorfer

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.