Related papers: Local electronic structure of rutile RuO$_2$
Understanding how local distortions determine the functional properties of high entropy materials, containing five or more elements at a crystallographic site, is an open challenge. We address this for a compositionally complex spinel oxide…
In Ca2RuO4, the competition of spin-orbit coupling $\zeta$ and tetragonal crystal field splitting $\Delta_{CF}$ has been discussed controversially for many years. The orbital occupation depends on $\Delta_{CF}/\zeta$, which allows us to…
Multi-band Mott insulators with moderate spin-orbit and Hund's coupling are key reference points for theoretical concept developments of correlated electron systems. The ruthenate Mott insulator Ca$_{2}$RuO$_{4}$ has therefore been…
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…
The unconventional superconductor Sr$_2$RuO$_4$ has long served as a benchmark for theories of correlated-electron materials. The determination of the superconducting pairing mechanism requires detailed experimental information on…
Motivated by the recently observed unconventional Hall effect in ultra-thin films of ferromagnetic SrRuO$_3$ (SRO) we investigate the effect of strain-induced oxygen octahedral distortion in the electronic structure and anomalous Hall…
Spin-orbit coupling (SOC) plays a crucial role in determining the spin structure of an odd parity psedospin-triplet Cooper pairing state. Here, we present a thorough study of how SOC lifts the degeneracy among different p-wave…
We report on structural, magnetic and electronic properties of Co-implanted TiO2 rutile single crystals for different implantation doses. Strong ferromagnetism at room temperature and above is observed in TiO2 rutile plates after cobalt ion…
By systematic first-principles calculations, we study the electronic structure and magnetic property of SrCrO$_3$. Our results suggest that SrCrO$_3$ is a weakly correlated antiferromagnetic (AF) metal, a very rare situation 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…
Manipulating the electron spin with the aid of spin-orbit coupling (SOC) is an indispensable element of spintronics. Electrostatically gating a material with strong SOC results in an effective magnetic field which can in turn be used to…
SrRuO$_3$ (SRO) films are known to exhibit insulating behavior as their thickness approaches four unit cells. We employ electron energy$-$loss (EEL) spectroscopy to probe the spatially resolved electronic structures of both insulating and…
A VO2 single-crystal has been subject of a combined investigation by high resolution XPS, x-ray emission spectroscopy with electron and energy-selective x-ray excitation (V L-alpha, V K-beta-5- and O K-alpha emission) and x-ray absorption…
We investigate the electronic structure of the epitaxial VO$_2$ films in the rutile phase using the density functional theory combined with the slave spin method (DFT+SS). In DFT-SS, the multiorbital Hubbard interactions are added to a…
One of the key technologies in spintronics is to tame spin-orbit coupling (SOC) that links spin and motion of electrons, giving rise to intriguing magneto-transport properties in itinerant magnets. Prominent examples of such SOC-based…
Single crystals of the Sr$_2$RuO$_4$-Ru eutectic system are known to exhibit enhanced superconductivity at 3~K, in addition to the bulk superconductivity of Sr$_2$RuO$_4$ at 1.5~K. The 1.5-K phase is believed to be a spin-triplet, chiral…
Na$_{3}$Co$_{2}$SbO$_6$ is a promising candidate to realize the Kitaev spin liquid phase since the large Kitaev spin exchange interaction is tunable via the change in electronic structure, such as the trigonal crystal field splitting…
CaBi$_2$ is a recently discovered type-I superconductor with $T_c=2$~K and a layered crystal structure. In this work electronic structure, lattice dynamics and electron-phonon interaction are studied, with a special attention paid to the…
By combining 5d transition-metal oxides showing pronounced spin-orbit interactions and oxide-based heterostructures, we propose rutile-based IrO2/TiO2 superlattices as promising candidates for unconventional electronic properties. By means…
In the light of recent interesting experimental work on MgV$_2$O$_4$ we employ the density functional theory to investigate the crucial role played by different interaction parameters in deciding its electronic and magnetic properties. The…