Modulating magnetic anisotropy in Ln(iii) single-ion magnets using an external electric field.

Chemical Science
Arup Sarkar, Gopalan Rajaraman

Abstract

Single-molecule magnets have potential uses in several nanotechnology applications, including high-density information storage devices, the realisation of which lies in enhancing the barrier height for magnetisation reversal (Ueff). However, Ln(iii) single-ion magnets (SIMs) that have been reported recently reveal that the maximum value of Ueff values that can be obtained by modulating the ligand fields has already been achieved. Here, we have explored, using a combination of DFT and ab initio CASSCF calculations, a unique way to enhance the magnetisation reversal barrier using an oriented external electric field in three well-known Ln(iii) single-ion magnets: [Dy(Py)5(O t Bu)2]+ (1), [Er{N(SiMe3)2}3Cl]- (2) and [Dy(CpMe3)Cl] (3). Our study reveals that, for apt molecules, if the appropriate direction and values of the electric fields are chosen, the barrier height can be enhanced by twice that of the limit set by the ligand field. The application of an electric field along the equatorial direction was found to be suitable for oblate shaped Dy(iii) complexes and an electric field along the axial direction was found to enhance the barrier height for a prolate Er(iii) complex. For com...Continue Reading

References

Apr 12, 2001·Nature·M N Leuenberger, D Loss
Jan 20, 2007·Science·Martin WeisheitDominique Givord
Aug 7, 2010·Nano Letters·Alexander S ZyazinAndrea Cornia
May 10, 2011·Chemical Society Reviews·Stefano Sanvito
Jun 24, 2011·Nature Chemistry·Jeffrey D RinehartJeffrey R Long
Apr 5, 2013·Chemical Reviews·Daniel N WoodruffRichard A Layfield
May 16, 2014·Chemical Communications : Chem Comm·Apoorva UpadhyayMaheswaran Shanmugam
Aug 27, 2014·Chemistry : a European Journal·Tamal Goswami, Anirban Misra
Mar 27, 2015·Angewandte Chemie·Andrew J BrownKim R Dunbar
Nov 13, 2015·Journal of Computational Chemistry·Francesco AquilanteRoland Lindh
Apr 8, 2016·Journal of the American Chemical Society·Jiang LiuMing-Liang Tong
Jun 7, 2017·Angewandte Chemie·Fu-Sheng GuoRichard A Layfield
Aug 25, 2017·Nature·Conrad A P GoodwinDavid P Mills
Aug 30, 2017·Dalton Transactions : an International Journal of Inorganic Chemistry·Saurabh Kumar SinghGopalan Rajaraman
Nov 18, 2017·Chemical Society Reviews·Eufemio Moreno-PinedaMario Ruben
Jul 7, 2018·Chemical Society Reviews·Sason ShaikDebasish Mandal
Aug 1, 2016·Chemical Science·Sandeep K GuptaRamaswamy Murugavel
Feb 9, 2019·Physical Review Letters·Junjie LiuArzhang Ardavan
Feb 20, 2019·Nature Materials·Maria FittipaldiRoberta Sessoli
Apr 5, 2019·Journal of the American Chemical Society·Chao WangSason Shaik
Jun 28, 2019·Science Advances·Xiaoyan HuangWenjing Hong
Aug 4, 2019·Journal of the American Chemical Society·Colin A GouldJeffrey R Long
Nov 22, 2019·Journal of the American Chemical Society·Peter EvansDavid P Mills
Feb 20, 2020·Chemistry : a European Journal·You-Song DingYan-Zhen Zheng
Feb 25, 2020·Chemistry : a European Journal·Jian ZhengJohannes Lercher

❮ Previous
Next ❯

Methods Mentioned

BETA
X-ray

Software Mentioned

- SO
Gaussian
ANISO
SINGLE
MOLCAS
- ANISO
SO
RASSI

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.