arXiv subjects

S. J. Moon

Publications and source records attributed to S. J. Moon.

27 records · Page 2Linked to original sources

arXiv2008

Localized electronic states induced by defects and possible origin of ferroelectricity in strontium titanate thin films

Several defect configurations including oxygen vacancies have been investigated as possible origins of the reported room-temperature ferroelectricity of strontium titanate (STO) thin films [Appl. Phys. Letts. 91, 042908 (2007)]. First-principles calculations revealed that the Sr-O-O vacancy complexes create deep localized states in the band gap of SrTiO3 without affecting its insulating property. These results are in agreement with electronic structural changes determined from optical transmission and X-ray absorption measurements. This work opens the way to exploiting oxygen vacancies and their complexes as a source of ferroelectricity in perovskite oxide thin films, including STO.

cond-mat.mtrl-sci↗

arXiv2008

Bandwidth-Controlled Insulator-Metal Transition and Correlated Metallic State in 5$d$ Transition Metal Oxides Sr$_{n+1}$Ir$_{n}$O$_{3n+1}$ ($n$=1, 2, and $\infty$)

We investigated the electronic structures of the 5$d$ Ruddlesden-Popper series Sr$_{n+1}$Ir$_{n}$O$_{3n+1}$ ($n$=1, 2, and $\infty$) using optical spectroscopy and first-principles calculations. As 5$d$ orbitals are spatially more extended than 3$d$ or 4$d$ orbitals, it has been widely accepted that correlation effects are minimal in 5$d$ compounds. However, we observed a bandwidth-controlled transition from a Mott insulator to a metal as we increased $n$. In addition, the artificially synthesized perovskite SrIrO$_{3}$ showed a very large mass enhancement of about 6, indicating that it was in a correlated metallic state.

cond-mat.str-el↗

arXiv2008

Novel Jeff = 1/2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr2IrO4

We investigated electronic structure of 5d transition-metal oxide Sr2IrO4 using angle-resolved photoemission, optical conductivity, and x-ray absorption measurements and first-principles band calculations. The system was found to be well described by novel effective total angular momentum Jeff states, in which relativistic spin-orbit (SO) coupling is fully taken into account under a large crystal field. Despite of delocalized Ir 5d states, the Jeff-states form so narrow bands that even a small correlation energy leads to the Jeff = 1/2 Mott ground state with unique electronic and magnetic behaviors, suggesting a new class of the Jeff quantum spin driven correlated-electron phenomena.

cond-mat.str-el↗

arXiv2007

Electronic structures of hexagonal RMnO3 (R = Gd, Tb, Dy, and Ho) thin films

We investigated the electronic structure of multiferroic hexagonal RMnO3 (R = Gd, Tb, Dy, and Ho) thin films using both optical spectroscopy and first-principles calculations. Using artificially stabilized hexagonal RMnO3, we extended the optical spectroscopic studies on the hexagonal multiferroic manganite system. We observed two optical transitions located near 1.7 eV and 2.3 eV, in addition to the predominant absorption above 5 eV. With the help of first-principles calculations, we attribute the low-lying optical absorption peaks to inter-site transitions from the oxygen states hybridized strongly with different Mn orbital symmetries to the Mn 3d3z2-r2 state. As the ionic radius of the rare earth ion increased, the lowest peak showed a systematic increase in its peak position. We explained this systematic change in terms of a flattening of the MnO5 triangular bipyramid.

cond-mat.str-el↗

arXiv2007

Orbital-Driven Electronic Structure Changes and the Resulting Optical Anisotropy of the Quasi-Two-Dimensional Spin Gap Compound La4Ru2O10

We investigated the electronic response of the quasi-two-dimensional spin gap compound La4Ru2O10 using optical spectroscopy. We observed drastic changes in the optical spectra as the temperature decreased, resulting in anisotropy in the electronic structure of the spin-singlet ground state. Using the orbital-dependent hopping analysis, we found that orbital ordering plays a crucial role in forming the spin gap state in the non-one-dimensional material.

cond-mat.str-el↗

arXiv2006

Electronic structures of layered perovskite Sr2MO4 (M=Ru, Rh, and Ir)

We investigated the electronic structures of the two-dimensional layered perovskite Sr$_{2}$\textit{M}O$_{4}$ (\textit{M}=4\textit{d} Ru, 4\textit{d} Rh, and 5\textit{d} Ir) using optical spectroscopy and polarization-dependent O 1\textit{s} x-ray absorption spectroscopy. While the ground states of the series of compounds are rather different, their optical conductivity spectra $σ(ω)$ exhibit similar interband transitions, indicative of the common electronic structures of the 4\textit{d} and 5\textit{d} layered oxides. The energy splittings between the two $e_{g}$ orbitals, $i.e.$, $d_{3z^{2}-r^{2}}$ and $d_{x^{2}-y^{2}}$, are about 2 eV, which is much larger than those in the pseudocubic and 3\textit{d} layered perovskite oxides. The electronic properties of the Sr$_{2}$\textit{M}O$_{4}$ compounds are discussed in terms of the crystal structure and the extended character of the 4\textit{d} and 5\textit{d} orbitals.

cond-mat.str-el↗

arXiv2005

Orbital-selective Mass Enhancements in Multi-band Ca$_{2-x}$Sr$_{x}$RuO$_{4}$ Systems Analyzed by the Extended Drude Model

We investigated optical spectra of quasi-two-dimensional multi-band Ca$% _{2-x} $Sr$_{x}$RuO$_{4}$ systems. The extended Drude model analysis on the ab-plane optical conductivity spectra indicates that the effective mass should be enhanced near $x=0.5$. Based on the sum rule argument, we showed that the orbital-selective Mott-gap opening for the $d_{yz/zx}$ bands, the widely investigated picture, could not be the origin of the mass enhancement. We exploited the multi-band effects in the extended Drude model analysis, and demonstrated that the intriguing heavy mass state near $x=0.5$ should come from the renormalization of the $d_{xy}$ band.

cond-mat.str-el↗

arXiv2005

The effect of lattice distortion and orbital mixing on the optical and magnetic properties of cubic RMnO$sub 3$ (R = La, Pr, Nd, Gd, Tb)

We investigated the $ab$-plane absorption spectra of $R$MnO$%_{3}$ ($R$ = La, Pr, Nd, Gd, and Tb) thin films. As the $R$-ion size decreases, we observed a drastic suppression of the 2 eV peak, \textit{i.e.} the inter-site optical transition between spin- and orbital-aligned states across the Mott gap. We found that both lattice distortion and the corresponding orbital mixing of the ordered orbital state should play an important role in the 2 eV peak suppression. We also found that the 2 eV spectral weight is proportional to the $A$-type antiferromagnetic ordering temperature, which suggests that the magnetic interaction might be sensitively coupled to the orbital mixing.

cond-mat.str-el↗

arXiv2005

Optical investigations on $Y_{2-x} Bi_x Ru_2 O_7$: Electronic structure evolutions related to the metal-insulator transition

Optical conductivity spectra of cubic pyrochlore $Y_{2-x} Bi_x Ru_2 O_7$ (0.0$\leq ${\it x}$\leq $2.0) compounds are investigated. As a metal-insulator transition (MIT) occurs around {\it x}$=$0.8, large spectral changes are observed. With increase of {\it x}, the correlation-induced peak between the lower and the upper Hubbard bands seems to be suppressed, and a strong mid-infrared feature is observed. In addition, the $p-d$ charge transfer peak shifts to the lower energies. The spectral changes cannot be explained by electronic structural evolutions in the simple bandwidth-controlled MIT picture, but are consistent with those in the filling-controlled MIT picture. In addition, they are also similar to the spectral changes of Y$_{2-x}$Ca$_{x}$Ru$_{2}$O$_{7}$ compounds, which is a typical filling-controlled system. This work suggests that, near the MIT, the Ru bands could be doped with the easily polarizable Bi cations.

cond-mat.str-el↗