arXiv subjects

Miyoung Kim

Publications and source records attributed to Miyoung Kim.

33 records · Page 2Linked to original sources

arXiv2020

Effects of paramagnetic fluctuations on the thermochemistry of MnO (100) surfaces in the oxygen evolution reaction

We investigated the effects of paramagnetic (PM) fluctuations on the thermochemistry of the MnO(100) surface in the oxygen evolution reaction (OER) using the "noncollinear magnetic sampling method \textit{plus} $U$" (NCMSM$+U$). Various physical properties, such as the electronic structure, free energy, and charge occupation, of the MnO (100) surface in the PM state with several OER intermediates, were reckoned and compared to those in the antiferromagnetic (AFM) state. We found that PM fluctuation enhances charge transfer from a surface Mn ion to each of the intermediates and strengthens the chemical bond between them, while not altering the overall features, such as the rate determining step and resting state, in reaction pathways. The enhanced charge transfer can be attributed to the delocalized nature of valence bands observed in the PM surface. In addition, it was observed that chemical-bond enhancement depends on the intermediates, resulting in significant deviations in reaction energy barriers. Our study suggests that PM fluctuations play a significant role in the thermochemistry of chemical reactions occurring on correlated oxide surfaces.

cond-mat.mtrl-sci↗

arXiv2020

Bi$_{2}$Se$_{3}$ thin films heteroepitaxially grown on $α$-RuCl$_{3}$

Combining various two-dimensional materials into novel van der Waals (vdW) heterostructures has been shown to lead to new emergent quantum systems. A novel heterostructure composed of a vdW topological insulator (TI) such as Bi$_{2}$Se$_{3}$ with a quantum spin liquid (QSL) such as $α$-RuCl$_{3}$ is of great interest for the potential for the chiral Dirac electrons in the TI surface states to interact strongly with the fractionalized fermionic spin excitations in the QSL. We report the heteroepitaxial growth of Bi$_{2}$Se$_{3}$ thin films on $α$-RuCl$_{3}$ as well as the characterization of their structural and electrical properties. Bi$_{2}$Se$_{3}$ thin films with an atomically smooth and uniform surface are grown by molecular beam epitaxy. The heterostructure exhibits a preferential epitaxial relationship corresponding to $(5 \times 5)-$Bi$_{2}$Se$_{3}/(2\sqrt{3} \times 2\sqrt{3})R30°-α$-RuCl$_{3}$ commensurate supercells with a periodicity of 1.2 nm. The formation of the superlattice despite a lattice mismatch as large as 60% is attributed to the van der Waals heteroepitaxy. Magnetotransport measurements as a function of temperature show Bi$_{2}$Se$_{3}$ films grown on $α$-RuCl$_{3}$ are heavily $n$-doped, $n_{e}$ ~10$^{14}$ cm$^{-2}$, with mobility $μ$ ~450 cm$^{2}$ V$^{-1}$ s$^{-1}$ at low temperatures.

cond-mat.mtrl-sci↗

arXiv2020

Strongly adhesive dry transfer technique for van der Waals heterostructure

That one can stack van der Waals materials with atomically sharp interfaces has provided a new material platform of constructing heterostructures. The technical challenge of mechanical stacking is picking up the exfoliated atomically thin materials after mechanical exfoliation without chemical and mechanical degradation. Chemically inert hexagonal boron nitride (hBN) has been widely used for encapsulating and picking up vdW materials. However, due to the relatively weak adhesion of hBN, assembling vdW heterostructures based on hBN has been limited. We report a new dry transfer technique. We used two vdW semiconductors (ZnPS3 and CrPS4) to pick up and encapsulate layers for vdW heterostructures, which otherwise are known to be hard to fabricate. By combining with optimized polycaprolactone (PCL) providing strong adhesion, we demonstrated various vertical heterostructure devices, including quasi-2D superconducting NbSe2 Josephson junctions with atomically clean interface. The versatility of the PCL-based vdW stacking method provides a new route for assembling complex 2D vdW materials without interfacial degradation.

physics.app-ph↗

arXiv2019

Noncollinear magnetic sampling method for paramagnetic Mott insulator MnO

We present a new approach based on the static density functional theory (DFT) to describe paramagentic MnO, which is a representative paramagnetic Mott insulator. We appended the spin noncollinearity and the canonical ensemble to the magnetic sampling method (MSM), which is one of the supercell approaches based on disordered local moment model. The combination of the noncollinear MSM (NCMSM) with DFT$+U$ represents a highly favorable computational method called NCMSM$+U$ to accurately determine the paramagnetic properties of MnO with moderate numerical cost. The effects of electron correlations and spin noncollinearity on the properties of MnO were also investigated. We revealed that the spin noncollinearity plays an important role in determining the detailed electronic profile and precise energetics of paramagnetic MnO. Our results illustrate that the NCMSM$+U$ approach may be used as an alternative to the $\textit{ab initio}$ framework of dynamic mean field theory based on DFT in the simulation of the high-temperature properties of Mott insulators.

cond-mat.str-el↗

arXiv2018

Atomic and electronic reconstruction at van der Waals interface in twisted bilayer graphene

Control of the interlayer twist angle in two-dimensional (2D) van der Waals (vdW) heterostructures enables one to engineer a quasiperiodic moiré superlattice of tunable length scale. In twisted bilayer graphene (TBG), the simple moiré superlattice band description suggests that the electronic band width can be tuned to be comparable to the vdW interlayer interaction at a 'magic angle', exhibiting strongly correlated behavior. However, the vdW interlayer interaction can also cause significant structural reconstruction at the interface by favoring interlayer commensurability, which competes with the intralayer lattice distortion. Here we report the atomic scale reconstruction in TBG and its effect on the electronic structure. We find a gradual transition from incommensurate moiré structure to an array of commensurate domain structures as we decrease the twist angle across the characteristic crossover angle, $θ_c$ ~1°. In the twist regime smaller than $θ_c$ where the atomic and electronic reconstruction become significant, a simple moiré band description breaks down. Upon applying a transverse electric field, we observe electronic transport along the network of one-dimensional (1D) topological channels that surround the alternating triangular gapped domains, providing a new pathway to engineer the system with continuous tunability.

cond-mat.mtrl-sci↗

arXiv2018

Unconventional anomalous Hall effect from antiferromagnetic domain walls of Nd2Ir2O7 thin films

Ferroic domain walls (DWs) create different symmetries and ordered states compared with those in single-domain bulk materials. In particular, the DWs of an antiferromagnet (AFM) with non-coplanar spin structure have a distinct symmetry that cannot be realized in those of their ferromagnet counterparts. In this paper, we show that an unconventional anomalous Hall effect (AHE) can arise from the DWs of a non-coplanar AFM, Nd2Ir2O7. Bulk Nd2Ir2O7 has a cubic symmetry; thus, its Hall signal should be zero without an applied magnetic field. The DWs generated in this material break the two-fold rotational symmetry, which allows for finite anomalous Hall conductivity. A strong f-d exchange interaction between the Nd and Ir magnetic moments significantly influences antiferromagnetic domain switching. Our epitaxial Nd2Ir2O7 thin film showed a large enhancement of the AHE signal when the AFM domains switched, indicating that the AHE is mainly due to DWs. Our study highlights the symmetry broken interface of AFM materials as a new means of exploring topological effects and their relevant applications.

cond-mat.str-el↗

arXiv2017

Electronic characteristics of ultrathin SrRuO$_3$ films and their relationship with the metal$-$insulator transition

SrRuO$_3$ (SRO) films are known to exhibit insulating behavior as their thickness approaches four unit cells. We employ electron energy$-$loss (EEL) spectroscopy to probe the spatially resolved electronic structures of both insulating and conducting SRO to correlate them with the metal$-$insulator transition (MIT). Importantly, the central layer of the ultrathin insulating film exhibits distinct features from the metallic SRO. Moreover, EEL near edge spectra adjacent to the SrTiO$_3$ (STO) substrate or to the capping layer are remarkably similar to those of STO. The site$-$projected density of states based on density functional theory (DFT) partially reflects the characteristics of the spectra of these layers. These results may provide important information on the possible influence of STO on the electronic states of ultrathin SRO.

cond-mat.str-el↗

arXiv2017

Electronic Reconstruction Enhanced Tunneling Conductance at Terrace Edges of Ultrathin Oxide Films

Quantum mechanical tunneling of electrons across ultrathin insulating oxide barriers has been studied extensively for decades due to its great potential in electronic device applications. In the few-nanometer-thick epitaxial oxide films, atomic-scale structural imperfections, such as the ubiquitously existed one-unit-cell-high terrace edges, can dramatically affect the tunneling probability and device performance. However, the underlying physics has not been investigated adequately. Here, taking ultrathin BaTiO3 films as a model system, we report an intrinsic tunneling conductance enhancement near the terrace edges. Scanning probe microscopy results demonstrate the existence of highly-conductive regions (tens of nanometers-wide) near the terrace edges. First-principles calculations suggest that the terrace edge geometry can trigger an electronic reconstruction, which reduces the effective tunneling barrier width locally. Furthermore, such tunneling conductance enhancement can be discovered in other transition-metal-oxides and controlled by surface termination engineering. The controllable electronic reconstruction could facilitate the implementation of oxide electronic devices and discovery of exotic low-dimensional quantum phases.

cond-mat.mtrl-sci↗

arXiv2017

Restoration of Topological Surface State by Vacuum Annealing in Magnetically Doped Topological Insulator

The introduction of magnetic order on the surface of topological insulators in general breaks the two-dimensional character of topological surface state (TSS). Once the TSS disappears, it is improbable to restore the topological surface properties. In this report, we demonstrate that it is possible to restore the inherent TSS by ultra-high vacuum annealing. Starting from an antiferromagnetic Gd-doped Bi2Te3, that has surface state gap without TSS properties, after annealing we observed the gap closing as well as typical TSS features in physical properties. The microscopic mechanism of atomic migration and TSS restoration by annealing process is unraveled by the combination of scanning tunneling microscopy measurements and density functional theory calculations. This approach to control the surface of topological insulators and stabilize the TSS simply by vacuum annealing provides a new platform towards the exploitation of their topological properties.

cond-mat.mtrl-sci↗

arXiv2017

Oxygen Partial Pressure during Pulsed Laser Deposition: Deterministic Role on Thermodynamic Stability of Atomic Termination Sequence at SrRuO3/BaTiO3 Interface

With recent trends on miniaturizing oxide-based devices, the need for atomic-scale control of surface/interface structures by pulsed laser deposition (PLD) has increased. In particular, realizing uniform atomic termination at the surface/interface is highly desirable. However, a lack of understanding on the surface formation mechanism in PLD has limited a deliberate control of surface/interface atomic stacking sequences. Here, taking the prototypical SrRuO3/BaTiO3/SrRuO3 (SRO/BTO/SRO) heterostructure as a model system, we investigated the formation of different interfacial termination sequences (BaO-RuO2 or TiO2-SrO) with oxygen partial pressure (PO2) during PLD. We found that a uniform SrO-TiO2 termination sequence at the SRO/BTO interface can be achieved by lowering the PO2 to 5 mTorr, regardless of the total background gas pressure (Ptotal), growth mode, or growth rate. Our results indicate that the thermodynamic stability of the BTO surface at the low-energy kinetics stage of PLD can play an important role in surface/interface termination formation. This work paves the way for realizing termination engineering in functional oxide heterostructures.

cond-mat.mtrl-sci↗

arXiv2017

Interface control of ferroelectricity in a SrRuO3/BaTiO3/SrRuO3 capacitor and its critical thickness

The atomic-scale synthesis of artificial oxide heterostructures offers new opportunities to create novel states that do not occur in nature. The main challenge related to synthesizing these structures is obtaining atomically sharp interfaces with designed termination sequences. Here, we demonstrate that the oxygen pressure (PO2) during growth plays an important role in controlling the interfacial terminations of SrRuO3/BaTiO3/SrRuO3 (SRO/BTO/SRO) ferroelectric capacitors. The SRO/BTO/SRO heterostructures were grown by the pulsed laser deposition (PLD) method. The top SRO/BTO interface grown at high PO2 (around 150 mTorr) usually exhibited a mixture of RuO2-BaO and SrO-TiO2 terminations. By reducing PO2, we obtained atomically sharp SRO/BTO top interfaces with uniform SrO-TiO2 termination. Using capacitor devices with symmetric and uniform interfacial termination, we were able to demonstrate for the first time that the ferroelectric (FE) critical thickness can reach the theoretical limit of 3.5 unit cells (u.c.).

cond-mat.mtrl-sci↗

arXiv2014

Interfacial microscopic mechanism of free energy minimization in Omega precipitate formation

Precipitate strengthening of light metals underpins a large segment of industry.Yet, quantitative understanding of physics involved in precipitate formation is often lacking, especially, about interfacial contribution to the energetics of precipitate formation.Here, we report an intricate strain accommodation and free energy minimization mechanism in the formation of Omega precipitates (Al2Cu)in the Al_Cu_Mg_Ag alloy. We show that the affinity between Ag and Mg at the interface provides the driving force for lowering the heat of formation, while substitution between Mg, Al and Cu of different atomic radii at interfacial atomic sites alters interfacial thickness and adjust precipitate misfit strain. The results here highlight the importance of interfacial structure in precipitate formation, and the potential of combining the power of atomic resolution imaging with first-principles theory for unraveling the mystery of physics at nanoscale interfaces.

cond-mat.mtrl-sci↗

arXiv2013

Ordered Growth of Topological Insulator Bi2Se3 Thin Films on Dielectric Amorphous SiO2 by MBE

Topological insulators (TIs) are exotic materials which have topologically protected states on the surface due to the strong spin-orbit coupling. However, a lack of ordered growth of TI thin films on amorphous dielectrics and/or insulators presents a challenge for applications of TI-junctions. We report the growth of topological insulator Bi2Se3 thin films on amorphous SiO2 by molecular beam epitaxy (MBE). To achieve the ordered growth of Bi2Se3 on amorphous surface, the formation of other phases at the interface is suppressed by Se passivation. Structural characterizations reveal that Bi2Se3 films are grown along the [001] direction with a good periodicity by van der Waals epitaxy mechanism. Weak anti-localization effect of Bi2Se3 films grown on amorphous SiO2 shows modulated electrical property by the gating response. Our approach for ordered growth of Bi2Se3 on amorphous dielectric surface presents considerable advantages for TI-junctions with amorphous insulator or dielectric thin films.

cond-mat.mtrl-sci↗

arXiv2012

Strain-Induced Spin States in Atomically Ordered Cobaltites

Epitaxial strain imposed in complex oxide thin films by heteroepitaxy is recognized as a powerful tool for identifying new properties and exploring the vast potential of materials performance. A particular example is LaCoO3, a zero spin, nonmagnetic material in the bulk, whose strong ferromagnetism in a thin film remains enigmatic despite a decade of intense research. Here, we use scanning transmission electron microscopy complemented by X-ray and optical spectroscopy to study LaCoO3 epitaxial thin films under different strain states. We observed an unconventional strain relaxation behavior resulting in stripe-like, lattice modulated patterns, which did not involve uncontrolled misfit dislocations or other defects. The modulation entails the formation of ferromagnetically ordered sheets comprising intermediate or high spin Co3+, thus offering an unambiguous description for the exotic magnetism found in epitaxially strained LaCoO3 films. This observation provides a novel route to tailoring the electronic and magnetic properties of functional oxide heterostructures.

cond-mat.mtrl-sci↗

arXiv2006

Magnetoelectric effects of nanoparticulate Pb(Zr0.52Ti0.48)O3-NiFe2O4 composite films

We fabricated Pb(Zr0.52Ti0.48)O3-NiFe2O4 composite films consisting of randomly dispersed NiFe2O4 nanoparticles in the Pb(Zr0.52Ti0.48)O3 matrix. The structural analysis revealed that the crystal axes of the NiFe2O4 nanoparticles are aligned with those of the ferroelectric matrix. The composite has good ferroelectric and magnetic properties. We measured the transverse and longitudinal components of the magnetoelectric voltage coefficient, which supports the postulate that the magnetoelectric effect comes from direct stress coupling between magnetostrictive NiFe2O4 and piezoelectric Pb(Zr0.52Ti0.48)O3 grains.

cond-mat.mtrl-sci↗