Superconductivity is commonly destroyed by a magnetic field due to orbital or Zeeman-induced pair breaking. Surprisingly, the spin-valley locking in two-dimensional superconductor with spin-orbit interaction makes superconducting state resilient large fields. We investigate spectral properties of such an Ising taking into account disorder. The interplay in-plane and coupling leads noncollinear ...

They are important chemical intermediates whose spin state dependent chemistry is implicated in a large number of organic reactions [l-4]. An important feature relevant to an understanding of many of their physical and chemical properties is the small energy gap separating the lowest singlet and triplet states. In fact for a number of carbenes these two states are in equilibrium at room tempera...

We have performed time-of-flight neutron scattering measurements on powder samples of the unconventional spin-Peierls compound TiOBr using the fine-resolution Fermi chopper spectrometer (SEQUOIA) at the Spallation Neutron Source at Oak Ridge National Laboratory. These measurements reveal two branches of magnetic excitations within the commensurate and incommensurate spin-Peierls phases, which w...

Title of Document: THEORETICAL AND EXPERIMENTAL INVESTIGATIONS OF HIGH SPIN IONIC INTERMEDIATES Arthur Henry Winter, Doctor of Philosophy, 2007 Directed By: Professor Daniel E. Falvey, Department of Chemistry & Biochemistry In order to identify high-spin organic intermediates that could potentially be used as building blocks for the construction of high-spin organic ferromagnets, density functi...

The High accuracy extrapolated ab initio thermochemistry (HEAT) protocol has been applied to a variety of commonly studied chemical species in order to obtain the thermodynamic energy values of their relevant states – primarily ground states but not necessarily. The work aims to extend the growing list of molecules already treated by the protocol, computed purely from theoretical standpoint wit...

Singlet exciton fission is the spin-conserving transformation of one spin-singlet exciton into two spin-triplet excitons. This exciton multiplication mechanism offers an attractive route to solar cells that circumvent the single-junction Shockley-Queisser limit. Most theoretical descriptions of singlet fission invoke an intermediate state of a pair of spin-triplet excitons coupled into an overa...

Here, a comprehensive photophysical investigation of a the emitter molecule DPTZ-DBTO2, showing thermally activated delayed fluorescence (TADF), with near-orthogonal electron donor (D) and acceptor (A) units is reported. It is shown that DPTZ-DBTO2 has minimal singlet-triplet energy splitting due to its near-rigid molecular geometry. However, the electronic coupling between the local triplet (3...

With μ → eγ decay forbidden by multiplicative lepton number conservation, we study muonium–antimuonium transitions induced by neutral scalar bosons. Pseudoscalars do not induce conversion for triplet muonium, while for singlet muonium, pseudoscalar and scalar contributions add constructively. This is in contrast to the usual case of doubly charged scalar exchange, where the conversion rate is t...

s It is suggested that simple electronic shielding effects induced by wave function antisymmetrization tend to govern the energy ordering of singlet and triplet terms within a two-electron atomic configuration. This approach gives rise to the following alternating rule: For the term of greatest orbital angular momentum within a configuration, the triplet lies below the singlet. The energy order...

We unravel intriguing dynamical diradical behavior governed by structural fluctuation in pentacene using ab initio molecular dynamics simulation. In contrast to static equilibrium configuration of pentacene with a closed-shell ground state without diradical character, due to structural fluctuation, some of its dynamical snapshot configurations exhibit an open-shell broken-symmetry singlet groun...