Related papers: Dimensionality selection in a molecule-based magne…
Machine Learning (ML) plays an increasingly important role in the discovery and design of new materials. In this paper, we demonstrate the potential of ML for materials research using hard-magnetic phases as an illustrative case. We build…
Encoding the electronic structure of molecules using 2-electron reduced density matrices (2RDMs) as opposed to many-body wave functions has been a decades-long quest as the 2RDM contains sufficient information to compute the exact molecular…
We use density functional theory to study the structural, magnetic and electronic structure of the organo-metallic quantum magnet $\mathrm{NiCl_2-4SC(NH_2)_2}$ (DTN). Recent work has demonstrated the quasi-1D nature of the molecular crystal…
The discovery of two-dimensional (2D) magnetism within atomically thin structures derived from layered crystals has opened up a new realm for exploring magnetic heterostructures. This emerging field provides a foundational platform for…
Electrical control of magnetization or magnetic control of polarization offers an extra degree of freedom in materials possessing both electric and magnetic dipole moments viz., magnetoelectric multiferroics. Microstructure with…
Dimensionality reduction represents the process of generating a low dimensional representation of high dimensional data. Motivated by the formation control of mobile agents, we propose a nonlinear dynamical system for dimensionality…
We introduce MolMiner, a fragment-based, geometry-aware, and order-agnostic autoregressive model for molecular design. MolMiner supports conditional generation of molecules over twelve properties, enabling flexible control across…
Interfacial exchange coupling between antiferromagnets (AFMs) and ferromagnets (FMs) crucially makes it possible to shift the FM hysteresis, known as exchange bias, and to switch AFM states. Two-dimensional magnets unlock opportunities to…
We investigate the design of magnetic ordering in one-dimensional mesoscopic magnetic Ising chains by modulating long-range interactions. These interactions are affected by geometrical modifications to the chain, which adjust the energy…
Antiferromagnets host exotic quasiparticles, support high frequency excitations and are key enablers of the prospective spintronic and spin-orbitronic technologies. Here, we propose a concept of a curvilinear antiferromagnetism where…
We present a new family of exchange biased Single Molecule Magnets in which antiferromagnetic coupling between the two components results in quantum behaviour different from that of the individual SMMs. Our experimental observations and…
We design a multiferroic metal that combines seemingly incompatible ferromagnetism, ferroelectricity, and metallicity by hole doping a two-dimensional (2D) ferroelectric with high density of states near the Fermi level. The strong…
Cylindrical magnetic nanowires have been proposed as a means of storing and processing information in a 3D medium, based on the motion of domain walls~(DWs). Introducing short chemical modulations in such wires would allow for reliable…
The manipulation of the motion of neutral molecules with electric or magnetic fields has seen tremendous progress over the last decade. Recently, these techniques have been extended to the manipulation of large and complex molecules. In…
Molecular magnetism aims to design materials with unique properties at the molecular level, focusing on the systematic synthesis of new chemical compounds. In this paper, we propose an alternative route to engineer molecular magnetic…
Multiferroic materials provide robust and efficient routes for the control of magnetism by electric fields, which has been diligently sought after for a long time. The two-dimensional (2D) vdW multiferroics is a more exciting endeavour. To…
Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide array of technological applications. Inverse methods provide…
A multi-high-frequency electron paramagnetic resonance method is used to probe the magnetic excitations of a dimer of single-molecule magnets. The measured spectra display well resolved quantum transitions involving coherent superposition…
This work reports the synthesis, structure and magnetic properties of the single crystal of a facile spin 1/2 one dimensional Heisenberg antiferromagnet bis(4-aminopyridinium) bis(oxalato)cuprate(II) dihydrate, (C 5 H 7 N 2 ) 2 [Cu(C 2 O 4…
Magnetic gels and elastomers are promising candidates to construct reversibly excitable soft actuators, triggered from outside by magnetic fields. These magnetic fields induce or alter the magnetic interactions between discrete rigid…