相关论文: Electric field driven octahedral rotation in perov…

Hybrid improper ferroelectrics (HIFs) have been intensely studied over the last few years to gain understanding of their temperature induced phase transitions and ferroelectric switching pathways. Here we report a switching from first- to…

X-ray absorption spectroscopy (XAS) and magnetic circular dichroism (XMCD) measurements at the oxygen (O) $K$-edge were performed to investigate the magnetic polarization of ligand O atoms in the weak ferromagnetic (WFM) phase of the Ir…

We study spin-dependent diffusive transport in the presence of a tunable spin-orbit (SO) interaction in a two-dimensional electron system. The spin precession of an electron in the SO coupling field is expressed in terms of a covariant…

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…

The electronic, magnetic and optical properties of the double perovskite Sr$_2$CoIrO$_6$ (SCIO) under biaxial strain are explored in the framework of density functional theory (DFT) including a Hubbard $U$ term and spin-orbit coupling (SOC)…

We propose a method of controlling the metal-insulator transition of one perovskite material at its interface with a another ferroelectric material based on first principle calculations. The operating principle is that the rotation of…

Reducing the dimensionality of metal-halide perovskites enhances quantum and dielectric confinement, enabling tunable excitonic properties. In one dimension, the arrangement of metal-halide octahedra in chains with corner-, edge-, or…

Molecular orbital (MO) systems with clusters of heavy transition metal (TM) ions are one of the most important classes of model materials for studying the interplay between local physics and effects of itinerancy. Despite a large number of…

Quantum oxide materials possess a vast range of properties stemming from the interplay between the lattice, charge, spin and orbital degrees of freedom, in which electron correlations often play an important role. Historically, the…

The magnetic and structural phase transitions occurring in K$_2$ReCl$_6$ were studied by macroscopic and microscopic techniques. Structural phase transitions associated with rotations of the ReCl$_6$ octahedra lower the symmetry from cubic…

Layers of perovskites, found in 3D materials, 2D heterostructures, and nanotubes, often distort from high symmetry to facilitate dipole polarisation that is exploitable in many applications. Using density-functional theory calculations,…

Contrary to the well known spin qubits, rare-earth qubits are characterized by a strong influence of crystal field due to large spin-orbit coupling. At low temperature and in the presence of resonance microwaves, it is the magnetic moment…

We report a uniaxial pressure-dependence of magnetism in layered perovskite strontium ruthenate Sr3Ru2O7. By applying a relatively small uniaxial pressure, greater than 0.1 GPa normal to the RuO2 layer, ferromagnetic ordering manifests…

Topological materials host robust surface states, which could form the basis for future electronic devices. As such states have spins that are locked to the momentum, they are of particular interest for spintronic applications.…

Recent discoveries regarding current-induced spin-orbit torques produced by heavy-metal/ferromagnet and topological-insulator/ferromagnet bilayers provide the potential for dramatically-improved efficiency in the manipulation of magnetic…

The Jahn-Teller distortion, by its very nature, is often at the heart of the various electronic properties displayed by perovskites and related materials. Despite the Jahn-Teller mode being non- polar in nature, we devise and demonstrate in…

We analyze electronic, magnetic, and structural properties of the spinel compound MgTi$_2$O$_4$ using the local density approximation+U method. We show how MgTi$_2$O$_4$ undergoes to a canted orbital-spin ordered state, where charge, spin…

Coupling of spin states and space motion of conduction electrons due to spin-orbit interaction opens up possibilities for manipulation of the electron spins by electrical means. It is shown here that spin orientation of a two-dimensional…

The tri-layered perovskite Sr4Rh3O10 is reported for the first time. High-pressure and high-temperature heating (6 GPa and 1500 C) brought about successful preparation of a polycrystalline sample of the expected member at n=3 of…

A promising route to tailoring the electronic properties of quantum materials and devices rests on the idea of orbital engineering in multilayered oxide heterostructures. Here we show that the interplay of interlayer charge imbalance and…