Dongyoo Kim

Anisotropic electrical conductivity of delafossite-type CuAlO2 laminar crystal

Delafossite-type CuAlO2 laminar crystals (R3m) were prepared through melt by a cooling method from 1423 K. The layer-by-layer structure of the crystal was observed. Because of the structural anisotropy of the crystal, electrical conductivity along the ab plane (σab) was higher than that along the c axis (σc), σab≳25σc. The anisotropy unveiled that the main conduction path of the crystal is closed-packed Cu+ layers. The values of the activation energies which were estimated from the Arrhenius plot were ∼0.20 and ∼0.13 eV for σc and σab, respectively. The linearity in the log σ vs (1/T)1/4 plot and the positive thermoelectric power (>+300 μV/K) of the crystal suggested p-type variable-range hopping conduction.

Ferromagnetism induced by Zn vacancy defect and lattice distortion in ZnO

Through the full potential linearized augmented plane wave method, we have explored the vacancy defect induced magnetism in wurtize ZnO. It has been found that the Zn vacancy defect brings a spin polarized state in the nearest neighbor oxygen atoms, whereas the oxygen vacancy defect has no influence on the magnetism. However, it is found that the lattice distortion is a crucial factor for the Zn vacancy induced ferromagnetism because the ferromagnetic ground state cannot be achieved if there is no lattice distortion due to Zn vacancy defect. The magnetic moment of oxygen atom in the nearest neighbor from the Zn vacancy site is ranged from 0.10 to 0.19 μB and the spin polarized oxygen atoms have metallic feature in both spin states. These results are quite different from those found in other calculation [Q. Wang et al., Phys. Rev. B 77, 205411 (2008)]. In addition, we have found that the ferromagnetic exchange interaction among oxygen atoms is mediated by Zn 3d state. Along with these, the theoretically ca...

On the band gap of CuAlO2 delafossite

In this letter, we discuss the electronic structure of copper aluminate (CuAlO2) on the basis of absorption measurements at low temperature and under high pressure in single crystals and thin films, combined with ab initio electronic structure calculations. The indirect character of the fundamental transition could be clearly established through the photon energy dependence of the absorption edge as measured in single crystals, yielding a band gap (plus a phonon) of 2.99±0.01eV at room temperature. An indirect excitonic structure is also observed at low temperature. The lowest energy direct allowed transition occurs near 3.53±0.01eV and is identified through its low-energy tail in single crystals and its excitonic peak in thin films. Comparing our results with ab initio calculations available in the literature, we conclude that CuGaO2 and CuInO2 can hardly be considered as wide gap semiconductors, even if they are transparent in thin films.

Refractive index of the CuAlO2 delafossite

The refractive index of the CuAlO2 delafossite has been determined from interference measurements in single crystals performed in the visible, near and mid infrared regions of the spectrum. The analysis of the refractive index dispersion corresponding to light polarization perpendicular to the c-axis (P ⊥ c) yields a static dielectric constant of 0 = 7.7 ± 0.8 and a low frequency electronic constant ∞ = 5.1 ± 0.1. The relevant infrared active mode is found to be at 550 ± 25 cm−1. The electronic contribution can be well described by a Penn gap at 39 000 ± 1000 cm−1. Both the refractive index and its dispersion are found to be smaller for P||c than for P ⊥ c.

XRD and XAS structural study of CuAlO2 under high pressure

We present the results of x-ray diffraction and x-ray absorption spectroscopy experiments in CuAlO(2) under high pressure. We discuss the polarization dependence of the x-ray absorption near-edge structure at the Cu K-edge. XRD under high pressure evidences anisotropic compression, the a-axis being more compressible than the c-axis. EXAFS yields the copper-oxygen bond length, from which the only internal parameter of the delafossite structure is deduced. The combination of anisotropic compression and the internal parameter decrease results in a regularization of the AlO(6) octahedra. The anisotropic compression is related to the chemical trends observed in the lattice parameters when Al is substituted by other trivalent cations. Both experiments evidence the existence of an irreversible phase transition that clearly manifests at 35 ± 2 GPa. The structure of the high-pressure polymorph could not be determined, but it implies a change of the Cu environment, which remains anisotropic. Precursor effects are observed from the lowest pressures, which are possibly related to crystal breaking at a submicroscopic scale with partial reorientation of the crystallites.

Magnetization reversal and spintronics of Ni/Graphene/Co induced by doped graphene

We have investigated the magnetization reversal induced by carrier doped graphene (Be, B, N, O, or Cl doping) in Ni/Graphene/Co. In undoped case, the magnetic layers have an antiferromagnetic (AFM) coupling and this is still preserved from Be to O doping. We find magnetization reversal from AFM to ferromagnetic interaction induced by Cl doped graphene. In addition, the Ni and the Co layers show the opposite spin asymmetry near the Fermi level and this implies that each layer will generate completely different in-plane spin current in the same direction if an external electric field is applied.

Origin of thickness dependent spin reorientation transition of B2 type FeCo alloy films

We have investigated the origin of thickness dependent spin reorientation transition (SRT) of B2 type FeCo alloy using the full potential linearized augmented plane wave method. It has been reported that FeCo alloy films on various substrates show a SRT from perpendicular to in-plane magnetization at an approximate thickness of 15 monolayers (MLs). The enhanced perpendicular magnetic anisotropy in bulk FeCo is attributed to a tetragonal distortion. However, we have found that the tetragonal distortion tends to suppress the magnetocrystalline anisotropy (MCA) energy at increasing film thickness in two-dimensional structure. In contrast, the magnitude of the shape anisotropy energy increases at increasing FeCo film thickness. Interestingly, the shape anisotropy overcomes the MCA and the SRT, from perpendicular anisotropy to in-plane magnetization, which occurs at a thickness of 15 ML. Consequently, we are able to clearly understand the physical mechanism of the thickness dependent SRT in terms of the competing reactions of these two counteracting contributions.

Magnetic Properties of Fe/Ni Thin Films: First Principles Study

This study examined the magnetic properties of ultrathin Fe/Ni films on a Cu(001) surface using the full potential linearized augmented plane wave (FLAPW) method. The magnetic moment of Fe/Ni films was found to be insensitive to strain. Nevertheless, strain had a significant influence on the magnetization direction. For example, Fe/Ni films showed a thickness-dependent spin reorientation transition in the presence of strain, while the Fe/Ni films grown pseudomorphically on Cu(001) always showed perpendicular magnetization. In addition, the theoretically calculated X-ray magnetic circular dichroism (XMCD) was examined.

Tuned Magnetic Properties of L1 0 -MnGa/Co(001) Films by Epitaxial Strain

We demonstrate that the interface structure has a significant influence on the magnetic state of MnGa/Co films consisting of L10-MnGa on face-centered-cubic Co(001) surface. We reveal an antiferromagnetic to ferromagnetic magnetization reversal as a function of the lateral lattice constant. The magnetization reversal mainly originates from localized states and weak hybridization at interface due to charge redistribution between muffin-tin spheres and interstitial region. The magnetic anisotropy energy of Mn/Co interface system is enhanced with increasing in-plane lattice constant, which is ascribed to the interface interactions and the above magnetization reversal.

Ultrathin half metallic N and antiferromagnetic semiconducting C layers on MgO(001)

Using the full potential linearized augmented plane wave (FLAPW) method, we have explored the magnetic properties of ultrathin C and N layers on a MgO(001) surface. It has been found that the free standing C layer has a ferromagnetic (FM) ordering with a magnetic moment of 0.82 μ(B), while the free standing N layer with the same coverage displays an antiferromagnetic (AFM) state with a magnetic moment of 1.68 μ(B). Through a structure optimization procedure, we have found that both C and N adatoms are adsorbed on the O-top position in the presence of a MgO(001) surface. The ultrathin 0.25 monolayer coverage of C/MgO(001) film becomes a magnetic semiconductor and shows the c(2 × 2) AFM ground state with a magnetic moment of 0.62 μ(B). Surprisingly, the ultrathin N/MgO(001) manifests a half metallic state with a magnetic moment of 0.47 μ(B). In addition, the induced spin polarization in the O atom is found and this hybridization significantly affects the density of states (DOS) behavior. This peculiar DOS feature results in the opposite magnetic ground states of C and N layers on a MgO(001) surface. Additionally, it is found that the N/MgO(001) has a perpendicular magnetocrystalline anisotropy energy of 63 µeV. We also present theoretically calculated x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) results.