Related papers: Mixed-Valence Tetranuclear Manganese Single-Molecu…
The photoinduced magnetism in manganese-tetracyanoethylene (Mn-TCNE) molecule-based magnets is ascribed to charge-transfer excitations from manganese to TCNE. Charge-transfer energies are calculated using Density Functional Theory;…
Self-interaction corrected local spin density approximation calculations were performed for La$_{(1-x)}$Sr$_x$MnO$_3$ (LSMO) ($0.0<x<0.5$). The influence and inter-relationship of Sr doping, magnetic structure, O displacements and phase…
The variational multiparticle-multihole configuration mixing approach (MPMH) to nuclei has been proposed about a decade ago. While the first applications followed rapidly, the implementation of the full formalism of this method has only…
Simple methods are presented allowing the determination of the magnetic anisotropy axes of a crystal of a single-molecule magnet (SMM). These methods are used to determine an upper bound of the easy axis tilts in a standard Mn12-Ac crystal.…
The structure and magnetic properties of oligonuclear manganese complex [Mn(hfa)2cpo]2 (where hfa is hexafluoroacetylacetonate dehydrate and cpo is 4-cyanopyridine-N-oxide) are presented. In the unit cell, the dinuclear molecules are well…
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…
Quantum spin rings represent fundamental model systems that exhibit distinctive quantum phenomena-such as quantum critical behavior and quasiparticle excitations-arising from their periodic boundary conditions and enhanced quantum…
The new layered manganese oxychalcogenides (LaO)$_2$Mn$_2$Se$_2$O and (BaF)$_2$Mn$_2$Se$_2$O, isostructural to (LaO)$_2$Fe$_2$Se$_2$O, were synthesized by using solid state reaction. The single crystals of former compound were also…
We study the formation of hybrid plasmon-magnon modes in a heterostructure comprising a monolayer semiconductor with strong Rashba spin-orbit coupling -- specifically, Janus transition-metal dichalcogenides (TMDs) -- and an insulating…
Rare-earth manganites are fascinating, because they display a wide variety of fundamental properties from magnetism to ferroelectricity, from colossal magnetoresistance to semi-metallicity, and because they can be used in a number of…
Two predictions are made for properties of the ferromagnetic superconductors discovered recently. The first one is that spin-triplet, p-wave pairing in such materials will give the magnons a mass inversely proportional to the square of the…
In order to unravel the composition of the isoscalar $DN$, $D^*N$, $D_1N$, and $D_2^*N$ molecular pentaquarks, we carry out a systematic investigation of their M1 and E1 radiative decays and magnetic moment properties. Using the constituent…
Single crystals of a Shastry-Sutherland magnetic semiconductor, BaNd2ZnS5, were synthesized through a high-temperature solution growth technique. Physical properties were characterized by powder and single crystal x-ray diffraction,…
A new tight-binding total energy method, which has been shown to accurately predict ground state properties of transition and noble metals, is applied to Manganese, the element with the most complex ground state structure among the $d$…
We report the synthesis and characterization of a new compound Mg$_4$Pd$_7$As$_6$, which was found to be a superconductor with $T_c=5.45$~K. Powder X-ray diffraction confirms the U$_4$Re$_7$Si$_6$ structure (space group $Im$-$3m$, no. 229)…
Various types of magnetism can appear in emerging quantum materials such as van der Waals layered ones. Here, we report the successful doping of manganese atoms into a post-transition metal dichalcogenide semiconductor: SnSe$_2$. We…
It is shown that dipolar and weak superexchange interactions between the spin systems of single-molecule magnets (SMM) play an important role in the relaxation of magnetization. These interactions can reduce or increase resonant tunneling.…
A new pairwise hybrid machine-learning/molecular mechanics (ML/MM) potential is introduced that is conceived for application to large, heterogeneous condensed-phase systems. The PhysNet ML method describes monomers and short-range dimer…
This study presents the first-ever investigation of spin-phonon coupling mechanisms in fullerene-based single-molecule magnets (SMMs) using ab initio CASSCF combined with DFT calculations. While lanthanide-based SMMs, particularly those…
This thesis explores the coupling of magnetic systems to quantum circuits in the context of quantum computing applications. In particular we study the coupling of superconducting coplanar waveguide resonators to Single Molecule Magnets…