Related papers: Superstructures at low spin - high spin transition…
The mutual coupling of spin and lattice degrees of freedom is ubiquitous in magnetic materials and potentially creates exotic magnetic states in response to the external magnetic field. Particularly, geometrically frustrated magnets serve…
We report on a systematic study of a number of structurally identical but chemically distinct transition metal oxides in order to determine how the material-specific properties such as the composition and the strain affect the properties at…
Recent developments of the sources of intense and ultrashort X-ray pulses stimulate theoretical studies of phenomena occurring on ultrafast timescales. In the present study, spin-flip dynamics in transition metal complexes triggered by…
We study supersolid-like crystalline structures emerging in the stationary states of a quasi-two-dimensional spin-orbit (SO)-coupled spin-2 condensate in the ferromagnetic, cyclic, and antiferro-magnetic phases by solving a mean-field…
The mechanism behind fast intersystem crossing in transition-metal complexes is shown to be a result of the dephasing of the photoexcited state to the phonon continuum of a different state with a significantly different transition…
Interfaces between correlated complex oxides are promising avenues to realize new forms of magnetism that arise as a result of charge transfer, proximity effects and locally broken symmetries. We report upon the discovery of a non-collinear…
Ferropericlase (Mg,Fe)O is a major lower mantle mineral, and studying its properties is a fundamental step toward understanding the Earth's interior. Here, we performed a first-principles investigation on the properties of iron as an…
Using density functional theory plus Hubbard $U$ calculations, we show that the ground state of (Mg,Fe)(Si,Fe)O$_3$ perovskite, a major mineral phase in the Earth's lower mantle, has high-spin ferric iron ($S=5/2$) at both the dodecahedral…
Unexpected, yet useful functionalities emerge when two or more materials merge coherently. Artificial oxide superlattices realize atomic and crystal structures that are not available in nature, thus providing controllable correlated quantum…
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the electronic structure, magnetic state, and structural phase stability of the recently…
Recent advances in creating complex oxide heterostructures, interfaces formed between two different transition metal oxides, have heralded a new era of materials and physics research, enabling a uniquely diverse set of coexisting physical…
We measure the spin lattice relaxation of the In(1) nuclei in the CeMIn_5 materials, extract quantitative information about the low energy spin dynamics of the lattice of Ce moments in both CeRhIn_5 and CeCoIn_5, and identify a crossover in…
We have described properties of LiCoO_2 within the Quantum Atomistic Solid State (QUASST) theory taking into account very strong electron correlations, predominantly of the intra-atomic origin, spin-orbit coupling and the detailed local…
Understanding of metal insulator transitions in a strongly correlated system, driven by Anderson localization (disorder) and/or Mott localization (correlation), is a long standing problem in condensed matter physics. The prevailing…
Rapidly developing science and technology demand new materials with versatile and promising properties for practical applications. In this context, pseudo-octahedral iron(II) spin crossover (SCO) complexes are particularly appealing - not…
Star lattice, which can be visualized as a honeycomb network with each vertex replaced by a triangle, provides a rare platform for realizing exotic quantum states such as quantum spin liquids and disorder-driven random-singlet (RS) states.…
Structural phase transitions often couple to magnetic and electronic degrees of freedom, enabling emergent phenomena in solids. In high-entropy oxides (HEOs), which typically stabilize in highly symmetric cubic phases, such transitions are…
Strong correlations, multiple lattice degrees of freedom, and the ease of doping make complex oxides a source of great research interest. Complex oxide heterointerfaces break inversion symmetry and can host a two dimensional carrier gas,…
Complex oxides with $4d$ and $5d$ transition-metal ions recently emerged as a new paradigm in correlated electron physics, due to the interplay between spin-orbit coupling and electron interactions. For $4d$ and $5d$ ions, the spin-orbit…
Ultracold spinor atoms in the weak and strong interaction regime have received extensive investigations, while the behavior in the intermediate regime is less understood. We numerically investigate ultracold spinor atomic ensembles of…