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A. Nakao

Publications and source records attributed to A. Nakao.

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$\mathbf{q}=\mathbf{0}$ long-range magnetic order in centennialite CaCu$_3$(OD)$_6$Cl$_2$$\cdot$0.6D$_2$O: A spin-1/2 perfect kagome antiferromagnet with $J_1$-$J_2$-$J_d$

Crystal and magnetic structures of the mineral centennialite CaCu$_3$(OH)$_6$Cl$_2\cdot0.6$H$_2$O are investigated by means of synchrotron x-ray diffraction and neutron diffraction measurements complemented by density functional theory (DFT) and pseudofermion functional renormalization group (PFFRG) calculations. CaCu$_3$(OH)$_6$Cl$_2\cdot0.6$H$_2$O crystallizes in the $P\bar{3}m1$ space group and Cu$^{2+}$ ions form a geometrically perfect kagome network with antiferromagnetic $J_1$. No intersite disorder between Cu$^{2+}$ and Ca$^{2+}$ ions is detected. CaCu$_3$(OH)$_6$Cl$_2\cdot0.6$H$_2$O enters a magnetic long-range ordered state below $T_\text{N}=7.2$~K, and the $\mathbf{q}=\mathbf{0}$ magnetic structure with negative vector spin chirality is obtained. The ordered moment at 0.3~K is suppressed to $0.58(2)μ_\text{B}$. Our DFT calculations indicate the presence of antiferromagnetic $J_2$ and ferromagnetic $J_d$ superexchange couplings of a strength which places the system at the crossroads of three magnetic orders (at the classical level) and a spin-$\frac{1}{2}$ PFFRG analysis shows a dominance of $\mathbf{q}=\mathbf{0}$ type magnetic correlations, consistent with and indicating proximity to the observed $\mathbf{q}=\mathbf{0}$ spin structure. The results suggest that this material is located close to a quantum critical point and is a good realization of a $J_1$-$J_2$-$J_d$ kagome antiferromagnet.

cond-mat.str-el

Field-induced spin reorientation in the antiferromagnetic Dirac material EuMnBi$_2$ revealed by neutron and resonant x-ray diffraction

Field-dependent magnetic structure of a layered Dirac material EuMnBi$_2$ was investigated in detail by the single crystal neutron diffraction and the resonant x-ray magnetic diffraction techniques. On the basis of the reflection conditions in the antiferromagnetic phase at zero field, the Eu moments were found to be ordered ferromagnetically within the $ab$ plane and stacked antiferromagnetically along the $c$ axis in the sequence of up-up-down-down. Upon the spin-flop transition under the magnetic field parallel to the $c$ axis, the Eu moments are reoriented from the $c$ to the $a$ or $b$ directions forming two kinds of spin-flop domains, whereas the antiferromagnetic structure of the Mn sublattice remains intact as revealed by the quantitative analysis of the change in the neutron diffraction intensities. The present study provides a concrete basis to discuss the dominant role of the Eu sublattice on the enhanced two-dimensionality of the Dirac fermion transport in EuMnBi$_2$.

cond-mat.mtrl-sci

Molecular beam epitaxy of three-dimensionally thick Dirac semimetal Cd3As2 films

Rapid progress of quantum transport study in topological Dirac semimetal, including observations of quantum Hall effect in two-dimensional (2D) Cd$_{\mathrm{3}}$As$_{\mathrm{2}}$ samples, has uncovered even more interesting quantum transport properties in high-quality and three-dimensional (3D) samples. However, such 3D Cd$_{\mathrm{3}}$As$_{\mathrm{2}}$ films with low carrier density and high electron mobility have been hardly obtained. Here we report the growth and characterization of 3D thick Cd$_{\mathrm{3}}$As$_{\mathrm{2}}$ films adopting molecular beam epitaxy. The highest electron mobility ($μ$ = 3 $\times$ 10$^{4}$ cm$^{2}$/Vs) among the reported film samples has been achieved at a low carrier density ($\textit{n} = 5$ $\times$ 10$^{16}$ cm$^{-3}$). In the magnetotransport measurement, Hall plateau-like structures are commonly observed in spite of the 3D thick films ($\textit{t} = 120$ nm). On the other hand, field angle dependence of the plateau-like structures and corresponding Shubunikov-de Haas oscillations rather shows a 3D feature, suggesting the appearance of unconventional magnetic orbit, also distinct from the one described by the semiclassical Weyl-orbit equation.

cond-mat.mtrl-sci

Coexisting spin resonance and long-range magnetic order of Eu in EuRbFe$_4$As$_4$

Magnetic excitations and magnetic structure of EuRbFe$_4$As$_4$ were investigated by inelastic neutron scattering (INS), neutron diffraction, and random phase approximation (RPA) calculations. Below the superconducting transition temperature $T_\text{c}=36.5$~K, the INS spectra exhibit the neutron spin resonances at $Q_\text{res}=1.27(2)$~$\textÅ^{-1}$ and $1.79(3)$~$\textÅ^{-1}$. They correspond to the $\mathbf{Q}=(0.5,0.5,1)$ and $(0.5,0.5,3)$ nesting wave vectors, showing three dimensional nature of the band structure. The characteristic energy of the neutron spin resonance is $E_\text{res}=17.7(3)$~meV corresponding to $5.7(1)k_\text{B}T_\text{c}$. Observation of the neutron spin resonance mode and our RPA calculations in conjunction with the recent optical conductivity measurements are indicative of the $s_\pm$ superconducting pairing symmetry in EuRbFe$_4$As$_4$. In addition to the neutron spin resonance mode, upon decreasing temperature below the magnetic transition temperature $T_\text{N}=15$~K, the spin wave excitation originating in the long-range magnetic order of the Eu sublattice was observed in the low-energy inelastic channel. Single-crystal neutron diffraction measurements demonstrate that the magnetic propagation vector of the Eu sublattice is $\mathbf{k}=(0, 0, 0.25)$, representing the three-dimensional antiferromagnetic order. Linear spin wave calculations assuming the obtained magnetic structure with the intra- and inter-plane nearest neighbor exchange couplings of $J_1/k_\text{B}=-1.31$~K and $J_c/k_\text{B}=0.08$~K can reproduce quantitatively the observed spin wave excitation. Our results show that superconductivity and long-range magnetic order of Eu coexist in EuRbFe$_4$As$_4$ whereas the coupling between them is rather weak.

cond-mat.supr-con

Enhanced Organic Solar Cells Efficiency through Additive Electronic and Electro-optic Effects Resulting from Doping a Polymer Hole Transport Layer

We demonstrate that blending fluorinated molecules in PEDOT:PSS hole transport layers (HTL) induces charge transfers which impact on both charge extraction and photogeneration within organic photovoltaic (OPV) devices. OPVs fabricated with modified HTL and two photoactive polymer blends led systematically to power conversion efficiencies (PCE) increases, with PTB7:PC70BM blend exhibiting PCE of ~ 8.3 %, i.e. ~ 15 % increase compared to pristine HTL devices. A reduced device-to-device characteristics variations was also noticed when fluorinated additives were used to modify the PEDOT:PSS. Shading lights onto the effect of HTL fluorination, we show that the morphology of the polymer:PCBM blends remains surprisingly unaffected by the fluorinated HTL surface energy but that, instead, the OPVs are impacted not only by the HTL electronic properties (work function, dipole layer, open circuit voltage, charge transfer dynamic) but also by alteration of the complex refractive indices (photogeneration, short circuit current density, external quantum efficiencies, electro-optic modelling). Both mechanisms find their origin in fluorination induced charge transfers. This work points towards fluorination as a promising strategy toward combining both external quantum efficiency modulation and power conversion efficiency enhancement in OPVs. Charge transfers could also be used more broadly to tune the optical constants and electric field distribution, as well as to reduce interfacial charge recombinations within OPVs.

cond-mat.mtrl-sci

Peierls Mechanism of the Metal-Insulator Transition in Ferromagnetic Hollandite K2Cr8O16

Synchrotron X-ray diffraction experiment shows that the metal-insulator transition occurring in a ferromagnetic state of a hollandite K$_2$Cr$_8$O$_{16}$ is accompanied by a structural distortion from the tetragonal $I4/m$ to monoclinic $P112_{1}/a$ phase with a $\sqrt{2}\times\sqrt{2}\times 1$ supercell. Detailed electronic structure calculations demonstrate that the metal-insulator transition is caused by a Peierls instability in the quasi-one-dimensional column structure made of four coupled Cr-O chains running in the $c$-direction, leading to the formation of tetramers of Cr ions below the transition temperature. This furnishes a rare example of the Peierls transition of fully spin-polarized electron systems.

cond-mat.str-el

Effect of cation size variance on spin and orbital order in Eu$_{1-x}$(La$_{0.254}$Y$_{0.746}$)$_{x}$VO$_3$

We have investigated the $R$-ion ($R$ = rare earth or Y) size variance effect on spin/orbital order in Eu$_{1-x}$(La$_{0.254}$Y$_{0.746}$)$_{x}$VO$_3$. The size variance disturbs one-dimensional orbital correlation in $C$-type spin/$G$-type orbital ordered states and suppresses this spin/orbital order. In contrast, it stabilizes the other spin/orbital order. The results of neutron and resonant X-ray scattering denote that in the other ordered phase, the spin/orbital patterns are $G$-type/$C$-type, respectively.

cond-mat.str-el

NMR of 3He in contact with PrF3 nanoparticles at low temperatures

Two nanosized PrF3 samples were synthesized using two different procedures. The X-ray and HRTEM experiments showed high crystallinity of synthesized sample. Comparison of enhanced 141Pr NMR spectra of microsized (45 $μ$m) and nanosized PrF3 powder is presented. Experimental data on spin kinetics of 3He in contact with PrF3 nanoparticles at T = 1.5 K are reported.

cond-mat.other

Electrons doped in cubic perovskite SrMnO3: isotropic metal versus chainlike ordering of Jahn-Teller polarons

Single crystals of electron-doped SrMnO3 with a cubic perovskite structure have been systematically investigated as the most canonical (orbital-degenerate) double-exchange system, whose ground states have been still theoretically controversial. With only 1-2% electron doping by Ce substitution for Sr, a G-type antiferromagnetic metal with a tiny spin canting in a cubic lattice shows up as the ground state, where the Jahn-Teller polarons with heavy mass are likely to form. Further electron doping above 4%, however, replaces this isotropic metal with an insulator with tetragonal lattice distortion, accompanied by a quasi-one-dimensional 3z^2-r^2 orbital ordering with the C-type antiferromagnetism. The self-organization of such dilute polarons may reflect the critical role of the cooperative Jahn-Teller effect that is most effective in the originally cubic system.

cond-mat.str-el