arXiv subjects

J. H. Shim

Publications and source records attributed to J. H. Shim.

At least 19 recordsLinked to original sources

arXiv2023

Superconductivity of metastable dihydrides at ambient pressure

Hydrogen in metals is a significant research area with far-reaching implications, encompassing diverse fields such as hydrogen storage, metal-insulator transitions, and the recently emerging phenomenon of room-temperature ($\textit{$T_C$}$) superconductivity under high pressure. Hydrogen atoms pose challenges in experiments as they are nearly invisible, and they are considered within ideal crystalline structures in theoretical predictions, which hampers research on the formation of meta-stable hydrides. Here, we propose pressure-induced hydrogen migration from tetrahedral site ($\textit{T}$) to octahedral site ($\textit{O}$),forming $LaH_x^OH_{2-x}^{T}$ in cubic $LaH^2$.Under decompression, it retains $H_x^O$ occupancy, and is dynamically stable even at ambient pressure, enabling a synthesis route of metastable dihydrides via compression-decompression process. We predict that the electron phonon coupling strength of $LaH_x^OH_{2-x}^{T}$ is enhanced with increasing $\textit{x}$, and the associated $\textit{$T_C$}$ reaches up to 10.8 $\textit{K}$ at ambient pressure. Furthermore, we calculated stoichiometric hydrogen migration threshold pressure ($\textit{$P_C$}$) for various lanthanides dihydrides ($\textit{R}$$H_2$, where $\textit{R}$=Y, Sc, Nd, and Lu), and found an inversely linear relation between $\textit{$P_C$}$ and ionic radii of $\textit{R}$. We propose that the highest $\textit{$T_C$}$ in the face-centered-cubic dihydride system can be realized by optimizing the $\textit{O}$/$\textit{T}$-site occupancies.

cond-mat.supr-con↗

arXiv2018

Unified low-energy effective Hamiltonian and the band topology of $p$-block square-net layer derivatives

In recent years, low-dimensional materials with tetragonal $P4/nmm$ (orthorhombic $Pnma$) space group having square-net (chain-like) substructure of $p$-block elements have been studied extensively. By using a first-principles calculation and a two-sites $\otimes$ two-orbitals tight-binding model, we construct the unified low-energy effective Hamiltonian and the $\mathbb{Z}_{2}$ topological phase diagram for such materials with different filling factors. Near the chemical potential, we show that the staggered arrangement of ions at 2c (4c) site yields the virtual hopping that have the same form with the second nearest-neighbor hopping between the square-net (chain-like) ions. We show that this hybridization and low-symmetry of the chain-like structure protects the quantum spin Hall insulator phase. Finally, the second order spin-orbit coupling on top of the atomic spin-orbit coupling is considered to clarify the origin of the non-zero Berry phase signals reported in recent quantum oscillation experiments.

cond-mat.mtrl-sci↗

arXiv2018

Surface reconstruction and charge modulation in BaFe2As2 superconducting film

Whether or not epitaxially grown superconducting films have the same bulk-like superconducting properties is an important concern. We report the structure and the electronic properties of epitaxially grown Ba(Fe1-xCox)2As2 films using scanning tunneling microscopy and scanning tunneling spectroscopy (STS). This film showed a different surface structure, (2sqrtx2sqrt2)R45 reconstruction, from those of as-cleaved surfaces from bulk crystals. The electronic structure of the grown film is different from that in bulk, and it is notable that the film exhibits the same superconducting transport properties. We found that the superconducting gap at the surface is screened at the Ba layer surface in STS measurements, and the charge density wave was observed at the surface in sample in the superconducting state.

cond-mat.supr-con↗

arXiv2017

Frustration-driven C4 symmetric orders in a hetero-structured iron-based superconductor

A subtle balance between competing interactions in strongly correlated systems can be easily tipped by additional interfacial interactions in a heterostructure. This often induces exotic phases with unprecedented properties, as recently exemplified by high-Tc superconductivity in FeSe monolayer on the nonmagnetic SrTiO3. When the proximity-coupled layer is magnetically active, even richer phase diagrams are expected in iron-based superconductors (FeSCs), which however has not been explored due to the lack of a proper material system. One promising candidate is Sr2VO3FeAs, a naturally-assembled heterostructure of a FeSC and a Mott-insulating vanadium oxide. Here, using high-quality single crystals and high-accuracy 75As and 51V nuclear magnetic resonance (NMR) measurements, we show that a novel electronic phase is emerging in the FeAs layer below T0 ~ 155 K without either static magnetism or a crystal symmetry change, which has never been observed in other FeSCs. We find that frustration of the otherwise dominant Fe stripe and V Neel fluctuations via interfacial coupling induces a charge/orbital order with C4-symmetry in the FeAs layers, while suppressing the Neel antiferromagnetism in the SrVO3 layers. These findings demonstrate that the magnetic proximity coupling is effective to stabilize a hidden order in FeSCs and, more generally, in strongly correlated heterostructures.

cond-mat.supr-con↗

arXiv2016

Electronic structure of YbB$_{6}$: Is it a Topological Insulator or not?

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.

cond-mat.str-el↗

arXiv2015

Pulse-shape discrimination between electron and nuclear recoils in a NaI(Tl) crystal

We report on the response of a high light-output NaI(Tl) crystal to nuclear recoils induced by neutrons from an Am-Be source and compare the results with the response to electron recoils produced by Compton scattered 662 keV $γ$-rays from a $^{137}$Cs source. The measured pulse-shape discrimination (PSD) power of the NaI(Tl) crystal is found to be significantly improved because of the high light output of the NaI(Tl) detector. We quantify the PSD power with a quality factor and estimate the sensitivity to the interaction rate for weakly interacting massive particles (WIMPs) with nucleons, and the result is compared with the annual modulation amplitude observed by the DAMA/LIBRA experiment. The sensitivity to spin-independent WIMP-nucleon interactions based on 100 kg$\cdot$year of data from NaI detectors is estimated with simulated experiments, using the standard halo model.

astro-ph.IM↗

arXiv2014

Temperature Dependence of Linked Gap and Surface State Evolution in the Mixed Valent Topological Insulator SmB6

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.

cond-mat.str-el↗

arXiv2013

Characterization of hyperfine interaction between single electron and single nuclear spins in diamond assisted by quantum beat from the nuclear spin

Precise characterization of a hyperfine interaction is a prerequisite for high fidelity manipulations of electron and nuclear spins belonging to a hybrid qubit register in diamond. Here, we demonstrate a novel scheme for determining a hyperfine interaction, using single-quantum and zero-quantum Ramsey fringes, by applying it to the system of a Nitrogen Vacancy (NV) center and a $^{13}$C nuclear spin in the 1$^{\mathrm{st}}$ shell. The zero-quantum Ramsey fringe, analogous to the quantum beat in a $Λ$-type level structure, particularly enhances the measurement precision for non-secular hyperfine terms. Precisions less than 0.5 MHz in the estimation of all the components in the hyperfine tensor were achieved. Furthermore, for the first time we experimentally determined the principal axes of the hyperfine interaction in the system. Beyond the 1$^{\mathrm{st}}$ shell, this method can be universally applied to other $^{13}$C nuclear spins interacting with the NV center.

quant-ph↗

arXiv2013

Kink during the formation of the Kondo resonance band in the heavy fermion system

We have investigated the formation of the Kondo resonance (KR) band and the hybridization gap (HG) in the heavy fermion compound CeCoGe2, using a combined approach of the density functional theory (DFT) and the dynamical mean field theory (DMFT). Low temperature (T) spec-tral functions show dispersive KR states, similarly to the recent experimental observation. During the evolution from the nonf conduction band state at high T to the dispersive KR band state at low T, which have topologically different band shapes, we have found the existence of kinks in the spectral function near EF . The observation of kink is clearly in correspondence with the multiple temperature scale of the formation of the KR band. We suggest that the detailed analysis on the abrupt change of electron velocity and the scattering rate near the Fermi level will provide crucial information for the heavy fermion system.

cond-mat.str-el↗

arXiv2013

Temperature Evolution of Itinerant Ferromagnetism in SrRuO3 Probed by Optical Spectroscopy

The temperature ($T$) dependence of the optical conductivity spectra $σ(ω)$ of a single crystal SrRuO$_3$ thin film is studied over a $T$ range from 5 to 450 K. We observed significant $T$ dependence of the spectral weights of the charge transfer and interband $d$-$d$ transitions across the ferromagnetic Curie temperature ($T_c$ ~ 150 K). Such $T$ dependence was attributed to the increase in the Ru spin moment, which is consistent with the results of density functional theory calculations. $T$ scans of $σ(Ω, T)$ at fixed frequencies $Ω$ reveal a clear $T^2$ dependence below $T_c$, demonstrating that the Stoner mechanism is involved in the evolution of the electronic structure. In addition, $σ(Ω, T)$ continues to evolve at temperatures above $T_c$, indicating that the local spin moment persists in the paramagnetic state. This suggests that SrRuO$_3$ is an intriguing oxide system with itinerant ferromagnetism.

cond-mat.str-el↗

arXiv2013

Broadband Excitation by Chirped Pulses: Application to Single Electron Spins in Diamond

Pulsed excitation of broad spectra requires very high field strengths if monochromatic pulses are used. If the corresponding high power is not available or not desirable, the pulses can be replaced by suitable low-power pulses that distribute the power over a wider bandwidth. As a simple case, we use microwave pulses with a linear frequency chirp. We use these pulses to excite spectra of single NV-centers in a Ramsey experiment. Compared to the conventional Ramsey experiment, our approach increases the bandwidth by at least an order of magnitude. Compared to the conventional ODMR experiment, the chirped Ramsey experiment does not suffer from power broadening and increases the resolution by at least an order of magnitude. As an additional benefit, the chirped Ramsey spectrum contains not only `allowed' single quantum transitions, but also `forbidden' zero- and double quantum transitions, which can be distinguished from the single quantum transitions by phase-shifting the readout pulse with respect to the excitation pulse or by variation of the external magnetic field strength.

quant-ph↗

arXiv2013

Room-temperature high-speed nuclear-spin quantum memory in diamond

Quantum memories provide intermediate storage of quantum information until it is needed for the next step of a quantum algorithm or a quantum communication process. Relevant figures of merit are therefore the fidelity with which the information can be written and retrieved, the storage time, and also the speed of the read-write process. Here, we present experimental data on a quantum memory consisting of a single $^{13}$C nuclear spin that is strongly coupled to the electron spin of a nitrogen-vacancy (NV) center in diamond. The strong hyperfine interaction of the nearest-neighbor carbon results in transfer times of 300 ns between the register qubit and the memory qubit, with an overall fidelity of 88 % for the write - storage - read cycle. The observed storage times of 3.3 ms appear to be limited by the T$_1$ relaxation of the electron spin. We discuss a possible scheme that may extend the storage time beyond this limit.

quant-ph↗

arXiv2012

Robust Dynamical Decoupling for Arbitrary Quantum States of a Single NV Center in Diamond

Dynamical decoupling is a powerful technique for extending the coherence time (T$_2$) of qubits. We apply this technique to the electron spin qubit of a single nitrogen-vacancy center in type IIa diamond. In a crystal with natural abundance of $^{13}$C nuclear spins, we extend the decoherence time up to 2.2 ms. This is close to the T$_1$ value of this NV center (4 ms). Since dynamical decoupling must perform well for arbitrary initial conditions, we measured the dependence on the initial state and compared the performance of different sequences with respect to initial state dependence and robustness to experimental imperfections.

quant-ph↗

arXiv2012

Decoherence window and electron-nuclear cross-relaxation in the molecular magnet V 15

Rabi oscillations in the V_15 Single Molecule Magnet (SMM) embedded in the surfactant DODA have been studied at different microwave powers. An intense damping peak is observed when the Rabi frequency Omega_R falls in the vicinity of the Larmor frequency of protons w_N, while the damping time t_R of oscillations reaches values 10 times shorter than the phase coherence time t_2 measured at the same temperature. The experiments are interpreted by the N-spin model showing that t_R is directly associated with the decoherence via electronic/nuclear spin cross-relaxation in the rotating reference frame. It is shown that this decoherence is accompanied with energy dissipation in the range of the Rabi frequencies w_N - sigma_e < Omega_R < w_N, where sigma_e is the mean super-hyperfine field (in frequency units) induced by protons at SMMs. Weaker damping without dissipation takes place outside this dissipation window. Simple local field estimations suggest that this rapid cross-relaxation in resonant microwave field observed for the first time in SMMV_15 should take place in other SMMs like Fe_8 and Mn_12 containing protons, too.

cond-mat.str-el↗

arXiv2011

Temperature-dependent Fermi surface evolution in heavy fermion CeIrIn5

In Cerium-based heavy electron materials, the 4f electron's magnetic moments bind to the itinerant quasiparticles to form composite heavy quasiparticles at low temperature. The volume of the Fermi surfacein the Brillouin zone incorporates the moments to produce a "large FS" due to the Luttinger theorem. When the 4f electrons are localized free moments, a "small FS" is induced since it contains only broad bands of conduction spd electrons. We have addressed theoretically the evolution of the heavy fermion FS as a function of temperature, using a first principles dynamical mean-field theory (DMFT) approach combined with density functional theory (DFT+DMFT). We focus on the archetypical heavy electrons in CeIrIn5, which is believed to be near a quantum critical point. Upon cooling, both the quantum oscillation frequencies and cyclotron masses show logarithmic scaling behavior (~ ln(T_0/T)) with different characteristic temperatures T_0 = 130 and 50 K, respectively. The resistivity coherence peak observed at T ~ 50 K is the result of the competition between the binding of incoherent 4f electrons to the spd conduction electrons at Fermi level and the formation of coherent 4f electrons.

cond-mat.str-el↗

arXiv2011

Anisotropic Dirac fermions in a Bi square net of SrMnBi2

We report the highly anisotropic Dirac fermions in a Bi square net of SrMnBi2, based on a first principle calculation, angle resolved photoemission spectroscopy, and quantum oscillations for high-quality single crystals. We found that the Dirac dispersion is generally induced in the (SrBi)+ layer containing a double-sized Bi square net. In contrast to the commonly observed isotropic Dirac cone, the Dirac cone in SrMnBi2 is highly anisotropic with a large momentum-dependent disparity of Fermi velocities of ~ 8. These findings demonstrate that a Bi square net, a common building block of various layered pnictides, provide a new platform that hosts highly anisotropic Dirac fermions.

cond-mat.mtrl-sci↗

arXiv2009

Spin-Orbit Qubits of Rare-Earth-Metal Ions in Axially Symmetric Crystal Fields

Contrary to the well known spin qubits, rare-earth qubits are characterized by a strong influence of crystal field due to large spin-orbit coupling. At low temperature and in the presence of resonance microwaves, it is the magnetic moment of the crystal-field ground-state which nutates (for several $μ$s) and the Rabi frequency $Ω_R$ is anisotropic. Here, we present a study of the variations of $Ω_R(\vec{H}_{0})$ with the magnitude and direction of the static magnetic field $\vec{H_{0}}$ for the odd $^{167}$Er isotope in a single crystal CaWO$_4$:Er$^{3+}$. The hyperfine interactions split the $Ω_R(\vec{H}_{0})$ curve into eight different curves which are fitted numerically and described analytically. These "spin-orbit qubits" should allow detailed studies of decoherence mechanisms which become relevant at high temperature and open new ways for qubit addressing using properly oriented magnetic fields.

cond-mat.str-el↗

arXiv2008

X-ray absorption branching ratio in actinides: LDA+DMFT approach

To investigate the x-ray absorption (XAS) branching ratio from the core 4d to valence 5f states, we set up a theoretical framework by using a combination of density functional theory in the local density approximation and Dynamical Mean Field Theory (LDA+DMFT), and apply it to several actinides. The results of the LDA+DMFT reduces to the band limit for itinerant systems and to the atomic limit for localized f electrons, meaning a spectrum of 5f itinerancy can be investigated. Our results provides a consistent and unified view of the XAS branching ratio for all elemental actinides, and is in good overall agreement with experiments.

cond-mat.mtrl-sci↗