arXiv subjects

Noriaki Hamada

Publications and source records attributed to Noriaki Hamada.

7 recordsLinked to original sources

arXiv2026

CE-antiferromagnetic electronic structure in LaSr$_2$Mn$_2$O$_7$ revealed by micro-focused angle-resolved photoemission spectroscopy and tight-binding models

We have investigated the electronic structure of LaSr$_2$Mn$_2$O$_7$ in the CE-type antiferromagnetic (CE-AFM) state below the Néel temperature using micro-focused angle-resolved photoemission spectroscopy ($μ$-ARPES) and tight-binding models. In agreement with the tight-binding calculations, we found a dispersive intensity around the X point in the $μ$-ARPES spectra, where the A-type antiferromagnetic (A-AFM) phase has no bands experimentally and theoretically, demonstrating that we have successfully captured the signatures of the CE-AFM band structure for the first time. Many observed features can be explained by the CE-AFM tight-binding bands, although some of them and the overall near-Fermi level intensity mapping can be explained by the A-AFM band structure. This indicates that the CE-AFM domain size would be no larger than the beam footprint size of a $\sim\!20$~{\textmu}m scale.

cond-mat.str-el↗

arXiv2019

Topological semimetal phases manifested in transition metal dichalcogenides intercalated with 3d metals

In the search for stable topological semimetals with clean band profiles, we have screened all the 3$d$ metal-intercalated transition-metal dichalcogenides (3dI-TMDCs) by performing hybrid-functional-based ab initio calculations. Two classes of topological materials featuring twelve Weyl nodes in the $k_z=0$ plane (without spin-orbit interactions) are identified: (a) time-reversal-breaking Weyl semimetals VT$_3$X$_6$ (ferromagnetic) and (b) spinless Weyl semimetals MnT$_3$X$_6$ (nonmagnetic), where T=Nb, Ta; X=S, Se. VNb$_3$S$_6$, prototypical of class (a), is half-metallic with only two bands crossing at the Fermi level to form Weyl nodes. MnNb$_3$S$_6$ in the nonmagnetic phase is essentially a spinless version of VNb$_3$S$_6$ featuring an equally clean and simple band profile. Although the space group symmetry (P6$_3$22) implies that the degeneracy between the two bands is lifted for $k$ away from the Weyl nodes, the gap remains extremely small ($\ll$ 0.1 meV) along a loop connecting the Weyl nodes. This quasi-nodal-line degeneracy is explained in terms of the quasi-mirror symmetry of the lattice, induced by the in-plane twofold rotation axes, and the specific orbital nature of the bands. 3dI-TMDCs are chemically and thermally stable stoichiometric compounds containing no toxic elements and are a viable platform for the study of topological condensed-matter physics.

cond-mat.str-el↗

arXiv2016

Semimetallic "Electride Bands" Derived from Interlayer Electrons in Quasi-Two-Dimensional Electride Y$_2$C

Two-dimensional (2D) electrides are a new concept material in which anionic electrons are confined in the interlayer space between positively charged layers. We have performed angle-resolved photoemission spectroscopy measurements on Y$_2$C, which is a possible 2D electride, in order to verify the formation of 2D electride states in Y$_2$C. We clearly observe the existence of semimetallic "electride bands" near the Fermi level, as predicted by ${ab}$ ${initio}$ calculations, conclusively demonstrating that Y$_2$C is a quasi-2D electride with electride bands derived from interlayer anionic electrons.

cond-mat.mtrl-sci↗

arXiv2015

Ferromagnetic instability of interlayer floating electrons in quasi-two-dimensional electride Y$_2$C

Ab initio electronic structure calculations show that the recently identified quasi-two-dimensional electride Y$_2$C is a weak itinerant ferromagnet or at least close to a ferromagnetic instability. The ferromagnetism is induced by the electride electrons, which are loosely bound around interstitial sites and overlap with each other to form two-dimensional interlayer conduction bands. The semimetallicity and two-dimensionality of the band structure are the key to understanding this ferromagnetic instability.

cond-mat.mtrl-sci↗

arXiv2009

First-Principles Study for the Anisotropy of Iron-based Superconductors toward Power and Device Applications

Performing the first-principles calculations, we investigate the anisotropy in the superconducting state of iron-based superconductors to gain an insight into their potential applications. The anisotropy ratio $γ_λ$ of the c-axis penetration depth to the ab-plane one is relatively small in BaFe2As2 and LiFeAs, i.e., $γ_λ\sim 3$, indicating that the transport applications are promising in these superconductors. On the other hand, in those having perovskite type blocking layers such as Sr2ScFePO3 we find a very large value, $γ_λ\sim 200$, comparable to that in strongly anisotropic high-Tc cuprate Bi2Sr2CaCu2O{8-δ}. Thus, the intrinsic Josephson junction stacks are expected to be formed along the c-axis, and novel Josephson effects due to the multi-gap nature are also suggested in these superconductors.

cond-mat.supr-con↗

arXiv2008

An ab-initio calculation of the core-level x-ray photoemission spectra -Fe 3s- and 1s-core levels-

We develop a method of the ab-initio calculation for the core-level x-ray photoemission spectroscopy (XPS). By calculating one-electron states in the presence of core-hole potential, excited states are constructed by distributing electrons on these one-electron states. The overlap integrals between the excited states and the ground state are evaluated by using the wavefunctions with and without the core-hole potential, and finally the XPS spectra are obtained. Implementing the procedure, we obtain the spin-resolved 3s-core XPS spectra in ferromagnetic iron without any adjustable parameters, in good agreement with the experiment. The spectral shapes are quite different for different spin channels. We explain the behavior in terms of the difference in the one-electron states screening the core-hole potential.

cond-mat.mtrl-sci↗

arXiv2002

All-electron GW calculation based on the LAPW method: application to wurtzite ZnO

We present a new, all-electron implementation of the GW approximation and apply it to wurtzite ZnO. Eigenfunctions computed in the local-density approximation (LDA) by the full-potential linearized augmented-plane-wave (LAPW) or the linearized muffin-tin-orbital (LMTO) method supply the input for generating the Green function G and the screened Coulomb interaction W. A mixed basis is used for the expansion of W, consisting of plane waves in the interstitial region and augmented-wavefunction products in the augmentation-sphere regions. The frequency-dependence of the dielectric function is computed within the random-phase approximation (RPA), without a plasmon-pole approximation. The Zn 3d orbitals are treated as valence states within the LDA; both core and valence states are included in the self-energy calculation. The calculated bandgap is smaller than experiment by about 1eV, in contrast to previously reported GW results. Self-energy corrections are orbital-dependent, and push down the deep O 2s and Zn 3d levels by about 1eV relative to the LDA. The d level shifts closer to experiment but the size of shift is underestimated, suggesting that the RPA overscreens localized states.

cond-mat.mtrl-sci↗