• Journal of the Korean Crystal Growth and Crystal Technology
• /
• v.23 no.1
• /
• pp.51-57
• /
• 2013

We have applied mechanical alloying (MA) to produce Heusler $Fe_2VAl$ thermoelectric alloy using a mixture of elemental $Fe_{50}V_{25}Al_{25}$ powders. An optimal milling and heat treatment conditions to obtain the single phase of Fe2VAl compound with fine microstructure were investigated by X-ray diffraction and differential scanning calorimetry (DSC) measurement. The $Fe_{50}V_{25}Al_{25}$ MA sample ball-milled for 60 hours exhibits a bcc ${\alpha}$-(Fe,V,Al) solid solution. Single phase of Heusler $Fe_2VAl$ compound can be obtained by MA of $Fe_{50}V_{25}Al_{25}$ mixture for 60 hours and subsequently heated up to $700^{\circ}C$. Sintering of the MA powders was performed in a spark plasma sintering (SPS) machine using graphite dies at $900{\sim}1000^{\circ}C$ under 60 MPa. The Vickers hardness of bulk sample sintered at $1000^{\circ}C$ was high value of Hv 870. All compact bodies have a high relative density above 90 % with metallic glare on the surface.

• Journal of Magnetics
• /
• v.18 no.4
• /
• pp.375-379
• /
• 2013

The electronic and the magnetic properties of (001) surface of $KCaN_2$ half-metallic compound with full-Heusler structure are studied with the use of a full-potential linearized augmented plane wave method. Two possible terminations of the surface are considered and only the one with N atoms in the topmost layer is found to retain the half-metallic properties of the bulk. The magnetic properties of N-terminated surface are enhanced compared with the properties of the bulk. The calculated magnetic moments on the N atoms in the $KCaN_2$ are 1.26 ${\mu}_B$ in the bulk and 1.90 ${\mu}_B$ at the surface. The subsurface metal atoms are also slightly polarized. In the surface terminated with metal atoms, not only the half-metallicity is destroyed, but also the magnetic properties of the system are weakened.

• Transactions on Electrical and Electronic Materials
• /
• v.16 no.6
• /
• pp.342-345
• /
• 2015

The n -type Hf_0.25Zr_0.25Ti_0.5NiSn_0.998Sb_0.002 Half-Heusler (HH) alloy composition was prepared by using the induction melting method in addition to the mechanical grinding, annealing, and spark plasma sintering processes. Analysis of X-ray diffraction (XRD) results indicated the formation of a pure phase HH structured compound. The electrical and thermal properties at temperatures ranging from room temperature to 718 K were investigated. The electrical conductivity increased with increasing temperatures and demonstrated nondegenerate semiconducting behavior, and a large reduction in the thermal conductivity to the value of 2.5 W/mK at room temperature was observed. With the power factor and thermal conductivity, the dimensionless figure of merit was increased with temperature and measured at 0.94 at 718 K for the compound synthesized by the induction melting process.

• Journal of the Korean Magnetics Society
• /
• v.26 no.6
• /
• pp.185-189
• /
• 2016

By employing photoemission spectroscopy (PES) and soft X-ray absorption spectroscopy (XAS), the electronic structure of the candidate half-metallic antiferromagnet of $Mn_3Ga$ Heusler compound has been investigated. We have studied two ball-milled $Mn_3Ga$ powder samples, one after annealing and the other without annealing, respectively. Based on the Mn 2p XAS study, we have found that Mn ions are nearly divalent in $Mn_3Ga$ and that the Mn ions having the locally octahedral symmetry and those having the locally tetrahedral symmetry are both present in $Mn_3Ga$. We have found relatively good agreement between the measured valence-band PES spectrum of $Mn_3Ga$ and the calculated density of states, which is in agreement with the half-metallic electronic structure of $Mn_3Ga$.

• Journal of the Korean Magnetics Society
• /
• v.18 no.4
• /
• pp.131-135
• /
• 2008

The electronic structures, magnetism, and half-metallicity of the full-Heusler $Co_2TiSn$(001) surfaces have been investigated by using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation. We have considered both of the Co atoms terminated(Co-term) and the TiSn atoms terminated(TiSn-term) surfaces. From the calculated density of states, we found that the half-metallicity was destroyed at the surface of the Co-term, while the half-metallicity was retained at the TiSn-term. For the surface of the Co-term, due to the reduced coordination number the occupied minority d-states were shifted to high energy regions and that cross the Fermi level, thus destroy the surface half-metallicity. On the other hand the surface states at the surface of the TiSn-term were located just below the Fermi level, which reduces the minority spin-gap with respect to that of the center layer. The calculated magnetic moment of the surface Co atom for the Co-term was increased by 10 % to 1.16 ${\mu}_B$ with respect to that of the inner-layers, while the magnetic moment of the subsurface Co atom in the TiSn-term has almost same value of the innerlayers(1.03 ${\mu}_B$).

• Journal of the Korean Magnetics Society
• /
• v.18 no.5
• /
• pp.163-167
• /
• 2008

The electronic structure and magnetism of superlattice systems consisted of Heusler compound $Co_2MnSi$ (CMS) and zinc-blende MnAs (MA) are investigated by means of the all-electron full potential linearized augmented plane wave method within the generalized gradient approximation. Four superlattice systems are considered, that is CMS(m)/MA(n), where m and n, being either 2 or 4, denote the number of alternatingly arrayed layers of the compounds in a superlattice along [001] direction. From the calculated total magnetic moments as well as the total density of states, it is found that neither of the four systems is half-metallic. It is also found that the Mn atoms are antiferromagnetically coupled in the systems of CMS2/MA2 and CMS2/MA4. The total and atom-resolved density of states of the four superlattices are compared with those of the bulk $Co_2MnSi$ and MnAs, and the influences of the change in the systems symmetry on the magnetism and half-metallicity are discussed.

• Current Applied Physics
• /
• v.18 no.11
• /
• pp.1190-1195
• /
• 2018

By employing soft X-ray magnetic circular dichroism (XMCD), soft X-ray absorption spectroscopy (XAS), and photoemission spectroscopy (PES), we have investigated the electronic structure of the candidate zero-moment half-metallic $Mn_3Ga$. We have studied the ball-milled and annealed $Mn_3Ga$ powder samples that exhibit nearly zero magnetization. Mn 2p XAS revealed that Mn ions in $Mn_3Ga$ are nearly divalent for both of the Mn ions having the locally octahedral symmetry and those having the locally tetrahedral symmetry. The measured Mn 2p XMCD spectrum of $Mn_3Ga$ is very similar to that of ferrimagnetic $MnFe_2O_4$ having divalent Mn ions. The sum-rule analysis of the Mn 2p XMCD spectrum shows that both the spin and orbital magnetic moments of Mn ions in $Mn_3Ga$ are negligibly small, in agreement with the nearly compensated-ferrimagnetic ground state of $Mn_3Ga$. The valence-band PES spectrum of $Mn_3Ga$ agrees well with the calculated density of states, supporting the half-metallic electronic structure of $Mn_3Ga$.