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Updated: Oct 17, 2025
Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
Published on: March 24, 2019
In silico strategy to boost stability, axiality, and barrier heights in dysprocenium SIMs via SWCNT encapsulation
Rizwan Nabi1, Rupesh Kumar Tiwari1, Gopalan Rajaraman1
1Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai-400076, India. rajaraman@chem.iitb.ac.in.
Abstract:
Detailed ab initio CASSCF calculations coupled with periodic DFT studies on a series of [Dy(Cp)2]+ molecules encapsulated in a single-wall carbon nanotube found that encapsulation offers stability to these fragile molecules and also significantly enhances the Ueff values. Most importantly, this encapsulation suppresses the key vibrations responsible for reducing the blocking temperature, offering a hitherto unknown strategy for a new generation of SIM-based devices.
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