arXiv subjects

Seon-Myeong Choi

Publications and source records attributed to Seon-Myeong Choi.

8 recordsLinked to original sources

arXiv2018

Enhanced Thermoelectric Properties in a New Silicon Crystal Si24 with Intrinsic Nanoscale Porous Structure

Thermoelectric device is a promising next-generation energy solution owing to its capability to transform waste heat into useful electric energy, which can be realized in materials with high elec- tric conductivities and low thermal conductivities. A recently synthesized silicon allotrope of Si$_{24}$ features highly anisotropic crystal structure with nanometre-sized regular pores. Here, based on first-principles study without any empirical parameter, we show that the slightly doped Si$_{24}$ can pro- vide an order-of-magnitude enhanced thermoelectric figure of merit at room temperature, compared with the cubic diamond phase of silicon. We ascribe the enhancement to the intrinsic nanostructure formed by the nanopore array, which effectively hinders heat conduction while electric conductivity is maintained. This can be a viable option to enhance the thermoelectric figure of merit without further forming an extrinsic nanostructure. In addition, we propose a practical strategy to further diminish the thermal conductivity without affecting electric conductivity by confining rattling guest atoms in the pores.

cond-mat.mtrl-sci↗

arXiv2015

Photocurrent generation at ABA/ABC lateral junction in tri-layer graphene photodetector

Metal-graphene-metal photodetectors utilize photocurrent generated near the graphene/metal junctions and have many advantages including high speed and broad-band operation. Here, we report on photocurrent generation at ABA/ABC stacking domain junctions in tri-layer graphene with a responsivity of 0.18 A/W. Unlike usual metal-graphene-metal devices, the photocurrent is generated in the middle of the graphene channel, not confined to the vicinity of the metal electrodes. The magnitude and the direction of the photocurrent depend on the back-gate bias. Theoretical calculations show that there is a built-in band offset between the two stacking domains, and the dominant mechanism of the photocurrent is the photo-thermoelectric effect due to the Seebeck coefficient difference.

cond-mat.mes-hall↗

arXiv2014

Polarization dependence of double resonant Raman scattering band in bilayer graphene

The polarization dependence of the double resonant Raman scattering (2D) band in bilayer graphene (BLG) is studied as a function of the excitation laser energy. It has been known that the complex shape of the 2D band of BLG can be decomposed into four Lorentzian peaks with different Raman frequency shifts attributable to four individual scattering paths in the energy-momentum space. From our polarization dependence study, however, we reveal that each of the four different peaks is actually doubly degenerate in its scattering channels, i.e., two different scattering paths with similar Raman frequency shifts for each peak. We find theoretically that one of these two paths, ignored for a long time, has a small contribution to their scattering intensities but are critical in understanding their polarization dependences. Because of this, the maximum-to-minimum intensity ratios of the four peaks show a strong dependence on the excitation energy, unlike the case of single-layer graphene (SLG). Our findings thus reveal another interesting aspect of electron-phonon interactions in graphitic systems.

cond-mat.mes-hall↗

arXiv2013

Anomalous Optical Phonon Splittings in Sliding Bilayer Graphene

We study the variations of electron-phonon coupling and their spectroscopic consequences in response to sliding of two layers in bilayer graphene using first-principles calculations and a model Hamiltonian. Our study shows that the long wave-length optical phonon modes change in a sensitive and unusual way depending on the symmetry as well as the parity of sliding atomic structures and that, accordingly, Raman- and infrared-active optical phonon modes behave differently upon the direction and size of the sliding. The renormalization of phonon modes by the interlayer electronic coupling is shown to be crucial to explain their anomalous behavior upon the sliding. Also, we show that the crystal symmetry change due to the sliding affects the polarized Stokes Raman-scattering intensity, which can be utilized to detect tiny misalignment of graphene layers using spectroscopic tools.

cond-mat.mes-hall↗

arXiv2011

Electronic topological transition in sliding bilayer graphene

We demonstrate theoretically that the topology of energy bands and Fermi surface in bilayer graphene undergoes a very sensitive transition when extremely tiny lateral interlayer shift occurs in arbitrary directions. The phenomenon originates from a generation of effective non-Abelian vector potential in Dirac Hamiltonian by the sliding motions. The characteristics of the transition such as pair annihilations of massless Dirac fermions are dictated by the sliding direction owing to a unique interplay between the effective non-Abelian gauge fields and Berry's phases associated with massless electrons. The transition manifests itself in various measurable quantities such as anomalous density of states, minimal conductivity, and distinct Landau level spectrum.

cond-mat.mes-hall↗

arXiv2011

The stability of graphene band structures against an external periodic perturbation; Na on Graphene

We report that the $π$ band of graphene sensitively changes as a function of an external potential induced by Na especially when the potential becomes periodic at low temperature. We have measured the band structures from the graphene layers formed on the 6H-SiC(0001) substrate using angle-resolved photoemission spectroscopy with synchrotron photons. With increasing Na dose, the $π$ band appears to be quickly diffused into background at 85 K whereas it becomes significantly enhanced its spectral intensity at room temperature (RT). A new parabolic band centered at $k\sim$1.15 Å$^{-1}$ also forms near Fermi energy with Na at 85 K while no such a band observed at RT. Such changes in the band structure are found to be reversible with temperature. Analysis based on our first principles calculations suggests that the changes of the $π$ band of graphene be mainly driven by the Na-induced potential especially at low temperature where the potential becomes periodic due to the crystallized Na overlayer. The new parabolic band turns to be the $π$ band of the underlying buffer layer partially filled by the charge transfer from Na adatoms. The five orders of magnitude increased hopping rate of Na adatoms at RT preventing such a charge transfer explains the absence of the new band at RT.

cond-mat.mes-hall↗

arXiv2010

Controlling Energy Gap of Bilayer Graphene by Strain

Using the first principles calculations, we show that mechanically tunable electronic energy gap is realizable in bilayer graphene if different homogeneous strains are applied to the two layers. It is shown that the size of energy gap can be simply controlled by adjusting the strength and direction of these strains. We also show that the effect originates from the occurrence of strain-induced pseudo-scalar potentials in graphene. When homogeneous strains with different strengths are applied to each layer of bilayer graphene, transverse electric fields across the two layers can be generated without any external electronic sources, thereby opening an energy gap. The results demonstrate a simple mechanical method of realizing pseudo-electromagnetism in graphene and suggest a maneuverable approach to fabrication of electromechanical devices based on bilayer graphene.

cond-mat.mes-hall↗

arXiv2010

Effects of Strain on Electronic Properties of Graphene

We present first-principles calculations of electronic properties of graphene under uniaxial and isotropic strains, respectively. The semi-metallic nature is shown to persist up to a very large uniaxial strain of 30% except a very narrow strain range where a tiny energy gap opens. As the uniaxial strain increases along a certain direction, the Fermi velocity parallel to it decreases quickly and vanishes eventually, whereas the Fermi velocity perpendicular to it increases by as much as 25%. Thus, the low energy properties with small uniaxial strains can be described by the generalized Weyl's equation while massless and massive electrons coexist with large ones. The work function is also predicted to increase substantially as both the uniaxial and isotropic strain increases. Hence, the homogeneous strain in graphene can be regarded as the effective electronic scalar potential.

cond-mat.mes-hall↗