• Journal of Magnetics
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• v.21 no.1
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• pp.6-11
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• 2016

The magnetic anisotropy energy (MAE) and the saturation magnetization $B_s$ of (110) $Fe_nCo_n$ heterostructures with n = 1, 2, and 3 are investigated in first-principles within the density functional theory by using the precise full-potential linearized augmented plane wave (FLAPW) method. We compare the results employing two different exchange correlation potentials, that is, the local density approximation (LDA) and the generalized gradient approximation (GGA), and include the spin-orbit coupling interaction of the valence states in the second variational way. The MAE is found to be enhanced significantly compared to those of bulk Fe and Co and the magnetic easy axis is in-plane in agreement with experiment. Also the MAE exhibits the in-plane angle dependence with a two-fold anisotropy showing that the $[1{\overline{I}}0]$ direction is the most favored spin direction. We found that as the periodicity increases, (i) the saturation magnetization $B_s$ decreases due to the reduced magnetic moment of Fe far from the interface, (ii) the strength of in-plane preference of spin direction increases yielding enhancement of MAE, and (iii) the volume anisotropy coefficient decreases because the volume increase outdo the MAE enhancement.

• Journal of Magnetics
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• v.22 no.1
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• pp.60-64
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• 2017

Mischmetal of Bayan Obo ore was utilized to prepare the high performance $(Pr_{7.34}Nd_{21.86})_{1-x}MM_xFe_{68.7}Al_{0.1}Cu_{0.12}Co_{0.88}B$ ribbons using melt-spinning method. Phase composition and magnetic properties were investigated at room temperature. The ribbons mainly consist of $R_2Fe_{14}B$ phase in isotropic nanostructure. Both coercivity and maximum energy product decrease with the increase of MM content. The magnetic parameters of the ribbons with MM = 20 % in mass are $B_r=7.38kGs$, $H_{cj}=13.66kOe$, $(BH)_{max}=11.81MGOe$. Henkel plots were applied to demonstrate the exchange coupling interaction between grains.

• Journal of Powder Materials
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• v.9 no.6
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• pp.381-393
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• 2002

Recent developments in nanocrystalline and nanocomposite rare earth-transition metal magnets are reviewed and emphasis is placed on research work at IFW Dresden. Principal synthesis methods include high energy ball milling, melt spinning, mold casting and hydrogen assisted methods such as reactive milling and hydrogenation-disproportionation-desorption-recombination. These techniques are applied to NdFeB-, PrFeB- and SmCo-type systems with the aim to produce high remanence magnets with high coercivity. Concepts of maximizing the energy density in nanostructured magnets by either inducing a texture via anisotropic HDDR or hot deformation or enhancing the remanence via magnetic exchange coupling are evaluated. With respect to high temperature applications melt spun $Sm(Co_{0.74}Fe_{0.1}Cu_{0.12}Zr_{0.04})_{7.5}$ ribbons were prepared, which showed coercivities of up to 0.53 T at 50$0^{\circ}C$. Partially amorphous $Nd_{60}Fe_xCo_{30-x}Al_{10}(0{\leq}x{\leq}30)$ alloys were prepared by copper mold casting. The effect of transition metal content on the glass-forming ability and the magnetic properties was investigated. The $Nd_{60}Co_{30}Al_{10}$ alloy exhibits an amorphous structure shown by the corresponding diffraction pattern. A small substitution of Co by 2.5 at.% Fe results In the formation of Fe-rich crystallites embedded in the Nd-rich amorphous matrix. The Fe-rich crystallites show hard magnetic behaviour at room temperature with a coercivity value of about 0.4 T, relatively low saturation magnetization and a Curie temperature of 500 K.

• Journal of Magnetics
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• v.18 no.3
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• pp.245-249
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• 2013

A finite element model was built for MnBi/${\alpha}$-Fe nanocomposite permanent magnets, and the demagnetization curves of the magnets were simulated by micro-magnetic calculation. The microstructure of the cubic model is composed of 64 irregular grains with an average grain size of 20 nm. With the volume fraction of soft magnetic phase (t vol. %) ranged from 5 to 20 vol. %, both isotropic and anisotropic nanocomposite magnets show typical single-phase permanent magnets behavior in their demagnetization curves, illustrating good intergranular exchange coupling effect between soft and hard magnetic phases. With the increase of volume fraction of soft magnetic phase in both isotropic and anisotropic magnets, the coercive force of the magnets decreases monotonically, while the remanence rises at first to a peak value, then decreases. The optimal values of maximum energy products of isotropic and anisotropic magnets are 84 and $200kJ/m^3$, respectively. Our simulation shows that the MnBi/${\alpha}$-Fe nanocomposite permanent magnets own excellent magnetic properties and therefore good potential for practical applications.

• 한국신재생에너지학회:학술대회논문집
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• 2008.05a
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• pp.33-36
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• 2008

The transient behavior of a passive air breathing direct methanol fuel cell (DMFC) operated on vapor-feeding mode is studied in this paper. It generally takes 30 minutes after starting for the cell response to come to its steady-state and the response is sometimes unstable. A mathematical dynamic one-dimensional model for simulating transient response of the DMFC is presented. In this model a DMFC is decomposed into its subsystems using lumped model and divided into five layers, namely the anodic diffusion layer, the anodic catalyst layer, the proton exchange membrane (PEM), the cathodic catalyst layer and the cathodic diffusion layer. All layers are considered to have finite thickness, and within every one of them a set of differential-algebraic governing equations are given to represent multi-components mass balance, such as methanol, water, oxygen and carbon dioxide, charge balance, the electrochemical reaction and mass transport phenomena. A one-dimensional, isothermal and mass transport model is developed that captures the coupling between water generation and transport, oxygen consumption and natural convection. The single cell is supplied by pure methanol vapor from a methanol reservoir at the anode, and the oxygen is supplied via natural air-breathing at the cathode. The water is not supplied from external source because the cell uses the water created at the cathode using water back diffusion through nafion membrane. As a result of simulation strong effects of water transport were found out. The model analysis provides several conclusions. The performance drop after peak point is caused by insufficiency of water at the anode. The excess water at the cathode makes performance recovery impossible. The undesired crossover of the reactant methanol through the PEM causes overpotential at the cathode and limits the feeding methanol concentration.

• Korean Journal of Materials Research
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• v.29 no.7
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• pp.451-455
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• 2019

The electromagnetic and thermal properties of a heavy fermion $CeNi_2Ge_2$ are investigated using first-principle methods with local density approximation (LDA) and fully relativistic approaches. The Ce f-bands are located near the Fermi energy $E_F$ and hybridized with the Ni-3d states. This hybridization plays important roles in the characteristics of this material. The fully relativistic approach shows that the 4f states split into $4f_{7/2}$ and $4f_{5/2}$ states due to spin-orbit coupling effects. It can be found that within the LDA calculation, the density of states near the Fermi level are mainly of Ce-derived 4f states. The Ni-derived 3d states have high peaks around -1.7eV and spreaded over wide range around the Fermi level. The calculated magnetic of $CeNi_2Ge_2$ with LDA method does not match with that of experimental result because of strong correlation interaction between electrons in f orbitals. The calculations show that the specific heat coefficient underestimates the experimental value by a factor of 19.1. The discrepancy between the band calculation and experiment for specific heat coefficient is attributed to the formation of a quasiparticle. Because of the volume contraction, the exchange interaction between the f states and the conduction electrons is large in $CeNi_2Ge_2$, which increases the quasiparticle mass. This will result in the enhancement of the specific hear coefficient.

• Journal of the Korean Magnetics Society
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• v.26 no.2
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• pp.39-44
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• 2016

Determination of the structural, electronic, and magnetic properties of the magnetically doped bismuth-telluride alloys are drawing lots of interest in the fields of the thermoelectric application as well as the research on magnetic interaction and topological insulator. In this study, we performed the first-principles electronic structure calculations within the density functional theory for the Gd doped bismuth-tellurides in order to study its magnetic properties and magnetic phase stability. All-electron FLAPW (full-potential linearized augmented plane-wave) method is employed and the exchange correlation potentials of electrons are treated within the generalized gradient approximation. In order to describe the localized f-electrons of Gd properly, the Hubbard +U term and the spin-orbit coupling of the valence electrons are included in the second variational way. The results show that while the Gd bulk prefers a ferromagnetic phase, the total energy differences between the ferromagnetic and the antiferromagnetic phases of the Gd doped bismuth-telluride alloys are about ~1meV/Gd, indicating that the stable magnetic phase may be changed sensitively depending on the structural change such as defects or strains.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.08a
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• pp.189-189
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• 2012

Lead sulfide (PbS) nanocrystal quantum dots (NQDs) are promising materials for various optoelectronic devices, especially solar cells, because of their tunability of the optical band-gap controlled by adjusting the diameter of NQDs. PbS is a IV-VI semiconductor enabling infrared-absorption and it can be synthesized using solution process methods. A wide choice of the diameter of PbS NQDs is also a benefit to achieve the quantum confinement regime due to its large Bohr exciton radius (20 nm). To exploit these desirable properties, many research groups have intensively studied to apply for the photovoltaic devices. There are several essential requirements to fabricate the efficient NQDs-based solar cell. First of all, highly confined PbS QDs should be synthesized resulting in a narrow peak with a small full width-half maximum value at the first exciton transition observed in UV-Vis absorbance and photoluminescence spectra. In other words, the size-uniformity of NQDs ought to secure under 5%. Second, PbS NQDs should be assembled carefully in order to enhance the electronic coupling between adjacent NQDs by controlling the inter-QDs distance. Finally, appropriate structure for the photovoltaic device is the key issue to extract the photo-generated carriers from light-absorbing layer in solar cell. In this step, workfunction and Fermi energy difference could be precisely considered for Schottky and hetero junction device, respectively. In this presentation, we introduce the strategy to obtain high performance solar cell fabricated using PbS NQDs below the size of the Bohr radius. The PbS NQDs with various diameters were synthesized using methods established by Hines with a few modifications. PbS NQDs solids were assembled using layer-by-layer spin-coating method. Subsequent ligand-exchange was carried out using 1,2-ethanedithiol (EDT) to reduce inter-NQDs distance. Finally, Schottky junction solar cells were fabricated on ITO-coated glass and 150 nm-thick Al was deposited on the top of PbS NQDs solids as a top electrode using thermal evaporation technique. To evaluate the solar cell performance, current-voltage (I-V) measurement were performed under AM 1.5G solar spectrum at 1 sun intensity. As a result, we could achieve the power conversion efficiency of 3.33% at Schottky junction solar cell. This result indicates that high performance solar cell is successfully fabricated by optimizing the all steps as mentioned above in this work.

• Journal of the Korean Magnetics Society
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• v.17 no.3
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• pp.124-127
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• 2007

Magnetic tunnel junctions (MTJs), which consisted of amorphous CoFeSiB layers, were investigated. The CoFeSiB layers were used to substitute for the traditionally used CoFe and/or NiFe layers with an emphasis given on understanding the effect of the amorphous free layer on the switching characteristics of the MTJs. CoFeSiB has a lower saturation magnetization ($M_s\;:\;560\;emu/cm^3$) and a higher anisotropy constant ($K_u\;:\;2800\;erg/cm^3$) than CoFe and NiFe, respectively. An exchange coupling energy ($J_{ex}$) of $-0.003\;erg/cm^2$ was observed by inserting a 1.0 nm Ru layer in between CoFeSiB layers. In the Si/$SiO_2$/Ta 45/Ru 9.5/IrMn 10/CoFe 7/$AlO_x$/CoFeSiB 7 or CoFeSiB (t)/Ru 1.0/CoFeSiB (7-t)/Ru 60 (in nm) MTJs structure, it was found that the size dependence of the switching field originated in the lower $J_{ex}$ using the experimental and simulation results. The CoFeSiB synthetic antiferromagnet structures were proved to be beneficial for the switching characteristics such as reducing the coercivity ($H_c$) and increasing the sensitivity in micrometer size, even in submicrometer sized elements.

• Korean Journal of Agricultural and Forest Meteorology
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• v.12 no.4
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• pp.277-288
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• 2010

The multi-level $H_2O/CO_2$ profile system has been widely used to quantify the storage and advection effects on energy and mass fluxes measured by eddy covariance systems. In this study, we expanded the utility of the profile system by accommodating air sampling devices for isotope analyses of water vapor and $CO_2$. A pre-evacuated 2L glass flask was connected to the discharge of an Infrared Gas Analyzer (IRGA) of the profile system so that airs with known concentration of $H_2O$ and $CO_2$ can be sampled. To test the performance of this sampling system, we sampled airs from 8 levels (from 0.1 to 40 m) at the KoFlux tower of Gwangneung deciduous forest, Korea. Air samples in the 2L flask were separated into its component gases and pure $H_2O$ and $CO_2$ were extracted by using a vacuum extraction line. This novel technique successfully produced vertical profiles of ${\delta}D$ of $H_2O$ and ${\delta}^{13}C$ of $CO_2$ in a mature forest, and estimated ${\delta}D$ of evapotranspiration (${\delta}D_{ET}$) and ${\delta}^{13}C$ of $CO_2$ from ecosystem respiration (${\delta}^{13}C_{resp}$) by using Keeling plots. While technical improvement is still required in various aspects, our sampling system has two major advantages over other proposed techniques. First, it is cost effective since our system uses the existing structure of the profile system. Second, both $CO_2$ and $H_2O$ can be sampled simultaneously so that net ecosystem exchange of $H_2O$ and $CO_2$ can be partitioned at the same temporal resolution, which will improve our understanding of the coupling between water and carbon cycles in terrestrial ecosystems.