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Rare-earth tetraborides ($R$B$_{4}$) have attracted a lot of recent attention due to their intriguing electronic, magnetic, and topological properties. We have theoretically investigated topological properties of PrB$_{4}$, which is unique among $R$B$_{4}$ family due to its ferromagnetic ground state. We have discovered that PrB$_{4}$ is an intrinsic magnetic Weyl system possessing multiple topological band crossings with various chiral charges. Density-functional-theory band calculations combined with tight-binding band analysis reveal large Fermi-arc surface states, which are characteristic fingerprints of Weyl fermions. Anomalous Hall conductivity is estimated to be very large, ranging from 500 to 1000 ($\Omega \cdot$cm)$^{-1}$ near the Fermi level, which also demonstrates the topological Weyl character of ferromagnetic PrB$_{4}$. These findings suggest that PrB$_{4}$, being a potential candidate of magnetic Weyl system, would be a promising rare-earth topological system for applications to next-generation spintronic and photonic devices., Comment: 7 pages, 6 figures

Niobium polyhydride was synthesized at high pressure and high temperature conditions by using diamond anvil cell combined with in situ high pressure laser heating techniques. High pressure electric transport experiments demonstrate that superconducting transition occurs with critical temperature(Tc) 42 K at 187 GPa. The shift of Tc as function of external applied magnetic field is in consistent to the nature of superconductivity while the upper critical field at zero temperature Hc2(0) is estimated to~16.8 Tesla while the GL coherent length ~57 angstrom is estimated. The structure investigation using synchrotron radiation implies that the observed superconductivity may come from Fm-3m phase of NbH3.

Superconductivity (SC) was experimentally observed for the first time in antimony polyhydride. The diamond anvil cell combined with laser heating system was used to synthesize the antimony polyhydride sample at high pressure and high temperature conditions. In-situ high pressure transport measurements as function of temperature with applied magnet are performed to study the SC properties. It was found that the antimony polyhydride samples show superconducting transition with critical temperature Tc 116 K at 184 GPa. The investigation of SC at magnetic field revealed that the superconducting coherent length ~40 angstroms based on Ginzburg Landau (GL) equation. Antimony polyhydride superconductor has the second highest Tc in addition to sulfur hydride among the polyhydrides of elements from main group IIIA to VIIA in periodic table.

We report experimental discovery of tantalum polyhydride superconductor. It was synthesized at high pressure and high temperature conditions using diamond anvil cell combined with in-situ high pressure laser heating techniques. The superconductivity was investigated via resistance measurements at pressures. The highest superconducting transition temperature Tc was found to be ~30 K at 197 GPa in the sample that was synthesized at the same pressure with ~2000 K heating. The transitions are shifted to low temperature upon applying magnetic fields that supports the superconductivity nature. The upper critical field at zero temperature {\mu}0Hc2(0) of the superconducting phase is estimated to be ~20 T that corresponds to GL coherent length ~40 angstroms. Our results suggest that the superconductivity may arise from I-43d phase of TaH3. It is, for the first time to our best knowledge, experimental realization of superconducting hydrides for the VB group of transitional metals., Comment: Published by CPL

Studies on polyhydrides are attracting growing attentions recently due to their potential high temperature superconductivity (SC). We here report the discovery of SC in hafnium polyhydrides at high pressures. The hafnium superhydrides are synthesized at high pressure and high temperature conditions using diamond anvil cell in combination with in-situ high pressure laser heating technique. The SC was investigated by in-situ high pressure resistance measurements in applied magnetic fields. A superconducting transition with onset Tc ~83 K was observed at 243 GPa. The upper critical field Hc2(0) was estimated to be 24 Tesla by GL theory and the consequent superconducting coherent length to be ~37 angstrom. Our results suggest that the superconducting phase is from C2/m-HfH14. This is the first 5d transition metal polyhydride superconductor with Tc above the liquid nitrogen temperature., Comment: Accepted by the journal of Material Today Physics (2022)

The CALICE Semi-Digital Hadronic CALorimeter (SDHCAL) is the first technological prototype in a family of high-granularity calorimeters developed by the CALICE Collaboration to equip the experiments of future lepton colliders. The SDHCAL is a sampling calorimeter using stainless steel for absorber and Glass Resistive Plate Chambers (GRPC) as a sensitive medium. The GRPC are read out by 1~cm $\times$ 1~cm pickup pads combined to a multi-threshold electronics. The prototype was exposed to hadron beams in both the CERN PS and the SPS beamlines in 2015 allowing the test of the SDHCAL in a large energy range from 3~GeV to 80~GeV. After introducing the method used to select the hadrons of our data and reject the muon and electron contamination, we present the energy reconstruction approach that we apply to the data collected from both beamlines and we discuss the response linearity and the energy resolution of the SDHCAL. The results obtained in the two beamlines confirm the excellent SDHCAL performance observed with the data collected with the same prototype in the SPS beamline in 2012. They also show the stability of the SDHCAL in different beam conditions and different time periods., Comment: 21 pages,23 figures

Searching for superconductivity with Tc near room temperature is of great interest both for fundamental science & many potential applications. Here we report the experimental discovery of superconductivity with maximum critical temperature (Tc) above 210 K in calcium superhydrides, the new alkali earth hydrides experimentally showing superconductivity above 200 K in addition to sulfur hydride & rare-earth hydride system. The materials are synthesized at the synergetic conditions of 160~190 GPa and ~2000 K using diamond anvil cell combined with in-situ laser heating technique. The superconductivity was studied through in-situ high pressure electric conductance measurements in an applied magnetic field for the sample quenched from high temperature while maintained at high pressures. The upper critical field Hc(0) was estimated to be ~268 T while the GL coherent length is ~11 angstrom. The in-situ synchrotron X-ray diffraction measurements suggest that the synthesized calcium hydrides are primarily composed of CaH6 while there may also exist other calcium hydrides with different hydrogen contents.

Weyl semimetal is a topologically non-trivial phase of matter with pairs of Weyl nodes in the k-space, which act as monopole and anti-monopole pairs of Berry curvature. Two hallmarks of the Weyl metallic state are the topological surface state called the Fermi arc and the chiral anomaly. It is known that the chiral anomaly yields anomalous magneto-transport phenomena. In this study, we report the emergence of the type-II Weyl semimetallic state in the geometrically frustrated non-collinear antiferromagnetic Shastry-Sutherland lattice (SSL) GdB4 crystal. When we apply magnetic fields perpendicular to the noncollinear moments in SSL plane, Weyl nodes are created above and below the Fermi energy along the M-A line (tau-band) because the spin tilting breaks the time-reversal symmetry and lifts band degeneracy while preserving C4z or C2z symmetry. The unique electronic structure of GdB4 under magnetic fields applied perpendicular to the SSL gives rise to a non-trivial Berry phase, detected in de Haas-van Alphen experiments and chiral-anomaly-induced negative magnetoresistance. The emergence of the magnetic field-induced Weyl state in SSL presents a new guiding principle to develop novel types of Weyl semimetals in frustrated spin systems.

We demonstrate theoretically that the golden phase of SmS ($g$-SmS), a correlated mixed-valent system, exhibits nontrivial surface states with diverse topology. It turns out that this material is an ideal playground to investigate different band topologies in different surface terminations. We have explored surface states on three different (001), (111), and (110) surface terminations. Topological signature in the (001) surface is not apparent due to a hidden Dirac cone inside the bulk-projected bands. In contrast, the (111) surface shows a clear gapless Dirac cone in the gap region, demonstrating the unambiguous topological Kondo nature of $g$-SmS. Most interestingly, the (110) surface exhibits both topological-insulator-type and topological-crystalline-insulator (TCI)-type surface states simultaneously. Two different types of double Dirac cones, Rashba-type and TCI-type, realized on the (001) and (110) surfaces, respectively, are analyzed with the mirror eigenvalues and mirror Chern numbers obtained from the model-independent \emph{ab initio} band calculations., Comment: 4 figures, 1 table

A typical f-electron Kondo lattice system Ce exhibits the well-known isostructural transition, the so-called gamma-alpha transition, accompanied by an enormous volume collapse. Most interestingly, we have discovered that a topological-phase transition also takes place in elemental Ce, concurrently with the gamma-alpha transition. Based on the dynamical mean-field theory approach combined with density functional theory, we have unravelled that the non-trivial topology in alpha-Ce is driven by the f-d band inversion, which arises from the formation of coherent 4f band around the Fermi level. We captured the formation of the 4f quasi-particle band that is responsible for the Lifshitz transition and the non-trivial Z2 topology establishment across the phase boundary. This discovery provides a concept of 'topology switch' for topological Kondo systems. The 'on' and 'off' switching knob in Ce is versatile in a sense that it is controlled by available pressure (around 1 GPa) at room temperature.

We have investigated the electronic and optical properties of (Sr$_{1-x}$Ca$_{x}$)$_2$IrO$_4$ (x= 0 - 0.375) and (Sr$_{1-y}$Ba$_y$)$_2$IrO$_4$ (y= 0 - 0.375) epitaxial thin-films, in which the bandwidth is systematically tuned via chemical substitutions of Sr ions by Ca and Ba. Transport measurements indicate that the thin-film series exhibits insulating behavior, similar to the J$_{eff}$= 1/2 spin-orbit Mott insulator Sr$_2$IrO$_4$. As the average A-site ionic radius increases from (Sr$_{1-x}$Ca$_{x}$)$_2$IrO$_4$ to (Sr$_{1-y}$Ba$_y$)$_2$IrO$_4$, optical conductivity spectra in the near-infrared region shift to lower energies, which cannot be explained by the simple picture of well-separated J$_{eff}$= 1/2 and J$_{eff}$= 3/2 bands. We suggest that the two-peak-like optical conductivity spectra of the layered iridates originates from the overlap between the optically-forbidden spin-orbit exciton and the inter-site optical transitions within the J$_{eff}$= 1/2 band. Our experimental results are consistent with this interpretation as implemented by a multi-orbital Hubbard model calculation: namely, incorporating a strong Fano-like coupling between the spin-orbit exciton and inter-site d-d transitions within the J$_{eff}$= 1/2 band., Comment: 5 figures

A Dirac fermion in a topological Dirac semimetal is a quadruple-degenerate quasi-particle state with a relativistic linear dispersion. Breaking either time-reversal or inversion symmetry turns this system into a Weyl semimetal that hosts double-degenerate Weyl fermion states with opposite chiralities. These two kinds of quasi-particles, although described by a relativistic Dirac equation, do not necessarily obey Lorentz invariance, allowing the existence of so-called type-II fermions. Recent theoretical discovery of type-II Weyl fermions evokes the prediction of type-II Dirac fermions in PtSe$_2$-type transition metal dichalcogenides, expecting an experimental confirmation. Here, we report an experimental realization of type-II Dirac fermions in PdTe$_2$ by angle-resolved photoemission spectroscopy combined with {\it ab-initio} band calculations. Our experimental finding makes the first example that has both superconductivity and type-II Dirac fermions, which turns the topological material research into a new phase., Comment: 3 figures

2$H$-TaSe$_2$ has been one of unique transition metal dichalcogenides exhibiting several phase transitions due to a delicate balance among competing electronic ground states. An unusual metallic state at high-$T$ is sequentially followed by an incommensurate charge density wave (ICDW) state at $\approx$ 122 K and a commensurate charge density wave (CCDW) state at $\approx$ 90 K, and superconductivity at $T_{\rm{C}}\sim$0.14 K. Upon systematic intercalation of Pd ions into TaSe$_2$, we find that CCDW order is destabilized more rapidly than ICDW to indicate a hidden quantum phase transition point at $x$$\sim$0.09-0.10. Moreover, $T_{\rm{C}}$ shows a dramatic enhancement up to 3.3 K at $x$ = 0.08, $\sim$24 times of $T_{\rm{C}}$ in 2$H$-TaSe$_2$, in proportional to the density of states $N(E_F)$. Investigations of upper critical fields $H_{c2}$ in single crystals reveal evidences of multiband superconductivity as temperature-dependent anisotropy factor $\gamma_H$ = $H_{c2}^{ab}$/$H_{c2}^{c}$, quasi-linear increase of $H_{c2}^{c}(T)$, and an upward, positive-curvature in $H_{c2}^{ab}(T)$ near $T_{\rm{C}}$. Furthermore, analysis of temperature-dependent electronic specific heat corroborates the presence of multiple superconducting gaps. Based on above findings and electronic phase diagram vs $x$, we propose that the increase of $N(E_F)$ and effective electron-phonon coupling in the vicinity of CDW quantum phase transition should be a key to the large enhancement of $T_{\rm{C}}$ in Pd$_x$TaSe$_2$., Comment: Accepted for publication in Scientific Report

The interaction between two different materials can present novel phenomena that are quite different from the physical properties observed when each material stands alone. Strong electronic correlations, such as magnetism and superconductivity, can be produced as the result of enhanced Coulomb interactions between electrons. Two-dimensional materials are powerful candidates to search for the novel phenomena because of the easiness of arranging them and modifying their properties accordingly. In this work, we report magnetic effects of graphene, a prototypical non-magnetic two-dimensional semi-metal, in the proximity with sulfur, a diamagnetic insulator. In contrast to the well-defined metallic behaviour of clean graphene, an energy gap develops at the Fermi energy for the graphene/sulfur compound with decreasing temperature. This is accompanied by a steep increase of the resistance, a sign change of the slope in the magneto-resistance between high and low fields, and magnetic hysteresis. A possible origin of the observed electronic and magnetic responses is discussed in terms of the onset of low-temperature magnetic ordering. These results provide intriguing insights on the search for novel quantum phases in graphene-based compounds., Comment: 6 pages and 5 figures

Employing a self-consistent (optimized) variational diagonalization scheme, we investigate the formation of polaronic quasiparticles in a spinless fermion-boson transport model that couples the movement of charge carriers to fluctuations and correlations of a background medium. The background is parameterized by bosonic degrees of freedom. The variational fermion-boson Hilbert space is constructed to achieve high accuracy in one to three spatial dimensions with modest computational requirements. To characterize the ground-state properties of the Edwards model in the single-particle sector, we present exact numerical results for the polaron band dispersion, quasiparticle weight, Drude weight, mass enhancement, and the particle-boson correlations in a wide parameter regime. In the Edwards model, transport will be quasifree, diffusive or boson-assisted in the weakly fermion-boson coupled, fluctuation-dominated or strongly correlated regimes, respectively. Thereby correlated transport is not only assisted but also limited by the bosonic excitations. As a result, the Drude weight remains finite even in the limit of very small boson frequencies. For a strongly correlated background, closed loops are important, in any dimension, to generate a finite effective particle mass even when the free fermion has an infinite mass., Comment: 9 pages 13 figures

We have systematically investigated substrate-strain effects on the electronic structures of two representative Sr-iridates, a correlated-insulator Sr$_2$IrO$_4$ and a metal SrIrO$_3$. Optical conductivities obtained by the \emph{ab initio} electronic structure calculations reveal that the tensile strain shifts the optical peak positions to higher energy side with altered intensities, suggesting the enhancement of the electronic correlation and spin-orbit coupling (SOC) strength in Sr-iridates. The response of the electronic structure upon tensile strain is found to be highly correlated with the direction of magnetic moment, the octahedral connectivity, and the SOC strength, which cooperatively determine the robustness of $J_{eff}$=1/2 ground states. Optical responses are analyzed also with microscopic model calculation and compared with corresponding experiments. In the case of SrIrO$_3$, the evolution of the electronic structure near the Fermi level shows high tunability of hole bands, as suggested by previous experiments.

To resolve the controversial issue of the topological nature of the electronic structure of YbB$_{6}$, we have made a combined study using density functional theory (DFT) and angle resolved photoemission spectroscopy (ARPES). Accurate determination of the low energy band topology in DFT requires the use of modified Becke-Johnson exchange potential incorporating the spin-orbit coupling and the on-site Coulomb interaction $U$ of Yb $4f$ electrons as large as 7 eV. We have double-checked the DFT result with the more precise GW band calculation. ARPES is done with the non-polar (110) surface termination to avoid band bending and quantum well confinement that have confused ARPES spectra taken on the polar (001) surface termination. Thereby we show definitively that YbB$_{6}$ has a topologically trivial B 2$p$-Yb 5$d$ semiconductor band gap, and hence is a non-Kondo non-topological insulator (TI). In agreement with theory, ARPES shows pure divalency for Yb and a $p$-$d$ band gap of 0.3 eV, which clearly rules out both of the previous scenarios of $f$-$d$ band inversion Kondo TI and $p$-$d$ band inversion non-Kondo TI. We have also examined the pressure-dependent electronic structure of YbB$_{6}$, and found that the high pressure phase is not a Kondo TI but a \emph{p}-\emph{d} overlap semimetal., Comment: The main text is 6 pages with 4 figures, and the supplementary information contains 6 figures. 11 pages, 10 figures in total To be appeared in Phys. Rev. Lett. (Online publication is around March 16 if no delays.)

We have investigated temperature-dependent electronic structures of Na2IrO3 to unravel its insulating nature. Employing the combined scheme of the density-functional theory (DFT) and the dynamical mean-field theory (DMFT), we have shown that the insulating state persists even above the Neel temperature (T_{N}), which reveals that Na2IrO3 is classified into a Mott-type insulator. The measured photoemission spectrum in the paramagnetic (PM) state is well described by the electronic structure obtained from the DFT+DMFT for the insulating state above T_{N}. The analysis of optical conductivity, however, suggests that the non-local correlation effect is also important in Na2IrO3. Therefore, Na2IrO3 is not to be a standard Mott insulator in that the extended nature and the non-local correlation effect of Ir 5d electrons are important as well in describing its electronic and magnetic properties., Comment: 5 pages, 4 figures

We have investigated the temperature (T)-dependent evolution of electronic structures and magnetic properties of an itinerant ferromagnet SrRuO3, employing the combined scheme of the density functional theory and the dynamical mean-field theory (DFT+DMFT). The inclusion of finite dynamical correlation effects beyond the DFT well describes not only the incoherent hump structure observed in the photoemission experiment but also the T-dependent magnetic properties in accordance with experiments. We have shown that the magnetization of SrRuO3 evolves with the Stoner behavior below the Curie temperature (Tc), reflecting the weak itinerant ferromagnetic behavior, but the local residual magnetic moment persists even above Tc, indicating the local magnetic moment behavior. We suggest that the ferromagnetism of SrRuO3 has dual nature of both weak and local moment limits, even though the magnetism of SrRuO3 is more itinerant than that of Fe., Comment: 5 pages, 4 figures

We have investigated temperature-dependent behaviors of electronic structure and resistivity in a mixed-valent golden phase of SmS, based on the dynamical mean-field theory band structure calculations. Upon cooling, the coherent Sm 4$f$ bands are formed to produce the hybridization induced pseudogap near the Fermi level, and accordingly the topology of Fermi surface is changed to exhibit a Lifshitz-like transition. The surface states emerging in the bulk gap region are found to be not topologically protected states but just typical Rashba spin-polarized states, indicating that SmS is not a topological Kondo semimetal. From the analysis of anomalous resistivity behavior in SmS, we have identified universal energy scales, which characterize the Kondo/mixed-valent semimetallic systems., Comment: 5 + 5 pages, 3 + 4 figures

We analyze existing optical data in the superconducting state of LiFeAs at $T =$ 4 K, to recover its electron-boson spectral density. A maximum entropy technique is employed to extract the spectral density $I^2\chi(\omega)$ from the optical scattering rate. Care is taken to properly account for elastic impurity scattering which can importantly affect the optics in an $s$-wave superconductor, but does not eliminate the boson structure. We find a robust peak in $I^2\chi(\omega)$ centered about $\Omega_R \cong$ 8.0 meV or 5.3 $k_B T_c$ (with $T_c =$ 17.6 K). Its position in energy agrees well with a similar structure seen in scanning tunneling spectroscopy (STS). There is also a peak in the inelastic neutron scattering (INS) data at this same energy. This peak is found to persist in the normal state at $T =$ 23 K. There is evidence that the superconducting gap is anisotropic as was also found in low temperature angular resolved photoemission (ARPES) data., Comment: 17 pages, 6 figures

We report a de Haas-van Alphen (dHvA) oscillation study on IrTe2 single crystals showing complex dimer formations. By comparing the angle dependence of dHvA oscillations with band structure calculations, we show distinct Fermi surface reconstruction induced by a 1/5-type and a 1/8-type dimerizations. This verifies that an intriguing quasi-two-dimensional conducting plane across the layers is induced by dimerization in both cases. A phase transition to the 1/8 phase with higher dimer density reveals that local instabilities associated with intra- and interdimer couplings are the main driving force for complex dimer formations in IrTe2., Comment: 5 pages, 4 figures, accepted in Phys. Rev. Lett

The intriguing coexistence of the charge density wave (CDW) and superconductivity in SrPt$_2$As$_2$ and LaPt$_2$Si$_2$ has been investigated based on the {\it ab initio} density functional theory band structure and phonon calculations. We have found that the local split distortions Pt atoms in the [As-Pt-As] layers play an essential role in driving the five-fold supercell CDW instability as well as the phonon softening instability in SrPt$_2$As$_2$. By contrast, the CDW and phonon softening instabilities in LaPt$_2$Si$_2$ occur without split distortions of Pt atoms, indicating that the driving mechanisms of the CDW in SrPt$_2$As$_2$ and LaPt$_2$Si$_2$ are different. We have found that the CDW instability for the former arises from the Fermi surface nesting, while, for the latter, from the saddle point scattering. The phonon calculations, however, suggest that the CDW and the superconductivity coexist in [{\it X}-Pt-{\it X}] layers ({\it X} = As or Si) for both cases.

Electronic structures of a charge-density-wave CDW system CeTe_2-xSb_x (x=0, 0.05) have been investigated by employing angle-resolved photoemission spectroscopy (ARPES). The observed Fermi surface (FS) agrees very well with the calculated FS for the undistorted CeTe_2 both in shapes and sizes. The metallic states crossing the Fermi level(E_F) are observed in ARPES. The carriers near E_F have mainly the Te(1) 5p character, with the negligible contribution from Ce 4f states to the CDW formation. The supercell (shadow) bands and the corresponding very weak FS's are found to arise from band-folding due to the interaction with Ce-Te(2) layers. This work shows that the origin of the CDW formation in CeTe_2 is the FS nesting and that the CDW modulation vector is along Gamma-X (Q_CDW ~ X)

We observed the anisotropic superconducting-gap (SC-gap) structure of a slightly overdoped superconductor, Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ ($x=0.1$), using three-dimensional (3D) angle-resolved photoemission spectroscopy. Two hole Fermi surfaces (FSs) observed at the Brillouin zone center and an inner electron FS at the zone corner showed a nearly isotropic SC gap in 3D momentum space. However, the outer electron FS showed an anisotropic SC gap with nodes or gap minima around the M and A points. The different anisotropies obtained the SC gap between the outer and inner electron FSs cannot be expected from all theoretical predictions with spin fluctuation, orbital fluctuation, and both competition. Our results provide a new insight into the SC mechanisms of iron pnictide superconductors., Comment: 11 pages, 4 figures

We have investigated the surface states of a potential mixed-valent topological insulator SmB$_6$ based on the first principles density functional theory slab band structure analysis. We have found that metallic surface states are formed in the bulk band gap region, providing evidence for the topological insulating nature of SmB$_6$. The obtained surface in-gap states are quite different from those in existing reports in that they are formed differently depending on the Sm or B$_6$ surface termination, and are composed of mainly Sm $4f$ state indicating the essentiality of including $f$ electrons in describing the surface states. We have obtained the spin chiral structures of the Fermi surfaces, which are also in accordance with the topological insulating nature of SmB$_6$.

We report a study of the lattice dynamics in superconducting NaFeAs (Tc = 8 K) and doped NaFe0.97Co0.03As (Tc = 20 K) using Raman light scattering. Five of the six phonon modes expected from group theory are observed. In contrast with results obtained on iso-structural and iso-electronic LiFeAs, anomalous broadening of Eg(As) and A1g(Na) modes upon cooling is observed in both samples. In addition, in the Co-doped sample, a superconductivity-induced renormalization of the frequency and linewidth of the B1g(Fe) vibration is observed. This renormalization can not be understood within a single band and simple multi-band approaches. A theoretical model that includes the effects of SDW correlations along with sign-changing s-wave pairing state and interband scattering has been developed to explain the observed behavior of the B1g(Fe) mode., Comment: 10 pages; 6 figures

We have investigated the pressure-induced spin-state transition in Co$^{2+}$ systems in terms of a competition between the Hund's exchange energy ($J$) and the crystal-field splitting ($\Delta_{CF}$). First, we show the universal metastability of the low-spin state in octahedrally coordinated Co$^{2+}$ systems. Then we present the strategy to search for a Co$^{2+}$ system, for which the mechanism of spin-state and metal-insulator transitions is governed not by the Mott physics but by $J$ vs. $\Delta_{CF}$ physics. Using CoCl$_{2}$ as a prototypical Co$^{2+}$ system, we have demonstrated the pressure-induced spin-state transition from high-spin to low-spin, which is accompanied with insulator-to-metal and antiferromagnetic to half-metallic ferromagnetic transitions. Combined with metastable character of Co$^{2+}$ and the high compressibility nature of CoCl$_{2}$, the transition pressure as low as 27 GPa can be identified on the basis of $J$ vs. $\Delta_{CF}$ physics., Comment: 6 pages, 4 figures

In order to explore the driving mechanism of the concomitant metal-insulator and structural transitions in quasi-one-dimensional hollandite K$_{2}$Cr$_{8}$O$_{16}$, electronic structures and phonon properties are investigated by employing the {\it ab initio} density functional theory (DFT) calculations. We have found that the imaginary phonon frequency reflecting the structural instability appears only in the DFT+$U$ ($U$: Coulomb correlation) calculation, which indicates that the Coulomb correlation plays an essential role in the structural transition. The lattice displacements of the softened phonon at X explain the observed lattice distortions in K$_{2}$Cr$_{8}$O$_{16}$ perfectly well, suggesting the Peierls distortion vector {\bf Q} of X (0, 0, 1/2). The combined study of electronic and phonon properties reveals that half-metallic K$_{2}$Cr$_{8}$O$_{16}$, upon cooling, undergoes the correlation-assisted Peierls transition to become a Mott-Peierls ferromagnetic insulator at low temperature.

Taken together and viewed holistically, recent theory, low temperature (T) transport, photoelectron spectroscopy and quantum oscillation experiments have built a very strong case that the paradigmatic mixed valence insulator SmB6 is currently unique as a three-dimensional strongly correlated topological insulator (TI). As such, its many-body T-dependent bulk gap brings an extra richness to the physics beyond that of the weakly correlated TI materials. How will the robust, symmetry-protected TI surface states evolve as the gap closes with increasing T? For SmB6 exploiting this opportunity first requires resolution of other important gap-related issues, its origin, its magnitude, its T-dependence and its role in bulk transport. In this paper we report detailed T-dependent angle resolved photoemission spectroscopy (ARPES) measurements that answer all these questions in a unified way., Comment: 30 pages 10 figures; updated references, a few revised discussions

We have investigated the band structure and the band symmetry of mixed-valence insulator SmB$_{6}$ systematically within the density functional theory (DFT). We have analyzed the symmetries and characters of Sm $4f$ and $5d$ bands near the Fermi level ($E_F$) in terms of the non-relativistic real cubic bases as well as the relativistic complex bases incorporating the spin-orbit coupling and the cubic crystal field. Further, we have found that the semi-core band located at $\sim 15$ eV below $E_F$ has the mixed parity and thereby affects the parity eigenvalues of the special ${\bf k}$-points considerably. We have discussed the possible surface states and topological class of SmB$_{6}$, based on the bulk parity tables., Comment: 6 pages, 8 figures, 1 table