Related papers: Understanding the Unique Structural and Electronic…
The 5d iridium-based transition metal oxides have gained broad interest because of their strong spin-orbit coupling which favors new or exotic quantum electronic states. On the other hand, they rarely exhibit more mainstream orders like…
The electronic energy structures and magnetic properties of iron-based compounds with group VI elements (FeTe, BiFeO$_3$, SrFe$_{12}$O$_{19}$ and SrCoTiFe$_{10}$O$_{19}$) are studied using the density functional theory (DFT) methods.…
Strong spin-orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin-orbit and strong electron-electron interactions is just beginning to be understood. Central…
We study the relation between the spin fluctuation and superconductivity in an heavily hole doped end material KFe$_2$As$_2$. We construct a five orbital model by approximately unfolding the Brillouin zone of the three dimensional ten…
The 3D ternary Li$_2$GeO$_3$ compound, which could serve as the electrolyte material in Li+-based batteries, exhibits an unusual lattice symmetry (orthorhombic crystal), band structure, charge density distribution and density of states. The…
A strongly spin-orbital coupled systems could be in a magnetic ordered phase at zero field. However, a Zeeman field could drive it into different quantum or topological phases. In this work, starting from general symmetry principle, we…
The superconducting pyrochlore oxide Cd2Re2O7 shows a structural transition with inversion symmetry breaking (ISB) at Ts1 = 200 K. A recent theory [L. Fu, Phys. Rev. Lett. 115, 026401 (2015)] suggests that the origin is an electronic…
We present first-principles based density functional theory calculations of the electronic and magnetic structure of CrO2 with 3d (Ti through Cu) and 4d (Zr through Ag) substitutional impurities. We find that the half-metallicity of CrO2…
An analysis of the analytical solution of the Schr\"{o}dinger equation (which is a second order differential equation) for $H_2^+$ shows that the second linear independent solution of this equation is a square integrable function and…
Motivated by the absence of cooperative Jahn-Teller effect and of magnetic ordering in LiNiO$_2$, a layered oxide with triangular planes, we study a general spin-orbital model on the triangular lattice. A mean-field approach reveals the…
In electronic solids with strong spin-orbit interactions (SOIs), the spin and orbital degrees of freedom of an electron are quantum mechanically entangled, which may result in an exotic multipolar order instead of a conventional dipolar…
Direct experimental access to orbital states in strongly correlated materials remains a major challenge, despite their central role in driving coupled structural and magnetic phase transitions. In systems where electronic correlations,…
Motivated by recent angle-resolved photoemission spectroscopy (ARPES) observations of a highly metallic two-dimensional electron gas (2DEG) at the (001) vacuum-cleaved surface of SrTiO3 and the subsequent discussion on the possible role of…
The superconducting (SC) state of iron-based compounds in both tetragonal and orthorhombic phases is studied on the basis of an effective Hamiltonian composed of the kinetic energy including the five Fe 3d-orbitals, the orthorhombic…
The bilayer heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics.…
Spin-orbit interaction established itself as a major role player for emergent phenomena in modern condensed matter including a topological insulator, spin liquid and spin-dependent transports. However, its function is rather limited to…
We create a two-dimensional electron system (2DES) at the interface between EuO, a ferromagnetic insulator, and SrTiO3, a transparent non-magnetic insulator considered the bedrock of oxide-based electronics. This is achieved by a controlled…
With electron filling $n=1$ in the $\rm Sr_2VO_4$ compound, the octahedrally coordinated $t_{\rm 2g}$ orbitals are strongly active due to tetragonal distortion induced crystal field tuning by external agent such as pressure. Considering the…
Correlated electrons in transition metal oxides (TMOs) exhibit a variety of emergent phases. When TMOs are confined to a single-atomic-layer thickness, experiments so far have shown that they usually lose diverse properties and become…
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…