• Journal of Magnetics
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• v.13 no.4
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• pp.140-143
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• 2008

The magnetic and structural properties of transition metal (Mn, Fe, Co) monolayers on Ta(001) surfaces are investigated theoretically by using the first principles full-potential linearized augmented plane wave method. Mn and Fe monolayers become ferromagnetic on Ta(001) surfaces while Co monolayers becomes non-magnetic. The paramagnetism of Co monolayers is explained by the Stoner theory of magnetism. The magnetic coupling of a transition metal overlayer with a substrate is ascribed to the orbital hybridization between the s and d orbitals of the transition metal.

• Bulletin of the Korean Chemical Society
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• v.34 no.7
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• pp.2171-2175
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• 2013

The electronic structure and elastic properties of the 4d transition metal carbides MC (M = Y, Zr, Nb, Rh) were studied by means of extended H$\ddot{u}$ckel tight-binding band electronic structure calculations. As the valence electron population of M increases, the bulk modulus of the MC compounds in the rocksalt structure does not increase monotonically. The dominant covalent bonding in these compounds is found to be M-C bonding, which mainly arises from the interaction between M 4d and C 2p orbitals. The bonding characteristics between M and C atoms affecting the variation of the bulk modulus can be understood on the basis of their electronic structure. The increasing bulk modulus from YC to NbC is associated with stronger interactions between M 4d and C 2p orbitals and the successive filling of M 4d-C 2p bonding states. The decreased bulk modulus for RhC is related to the partial occupation of Rh-C antibonding states.

• Vacuum Magazine
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• v.3 no.1
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• pp.4-8
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• 2016

Motivated by two dimensional graphene, layered transition metal dichalcogenides (TMDs) have attracted scientific interests by their diverse electronic, optical and catalytic properties. In particular, group 6 TMDs such as $MoS_2$ and $MoTe_2$ have polymorphs (with metallic octahedral and semiconducting hexagonal phases) which are not present in graphene. Here, we introduce a new concept in 2D materials' studies, structural phase transition, with group 6 TMDs and its current research trend and applications for electric device and electrochemical catalyst.

• Analytical Science and Technology
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• v.12 no.2
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• pp.159-165
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• 1999

The adsorption and separation behaviors of transition metal ions using a merrifield resin bound 1,12-diaza-3,4:9,10-dibenzo-5,8-dioxacyclopentadecane (NTOE) and 1,12,15-triaza-3,4:9,10-dibenzo-5,8-dioxacycloheptadecane(NDOE) were investigated in aqueous solution. The orders of adsorption degree(E) and distribution ratio(D) of transition metal ions were Cu(II)$t_R$) of metal ions were affected by adsorption degree(E) and distribution ratio(D). This results showed good separation efficiency of Ag(I) from mixed metal solution.

• Journal of Magnetics
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• v.13 no.1
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• pp.7-10
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• 2008

The structural and magnetic properties of functionalized carbon chains doped with 4d transition metals, such as Ru, Rh, and Pd, were investigated using the full-potential linearized augmented plane wave (FLAPW) method. The carbon nanowire doped with Ru exhibited a ferromagnetic ground state with a sizable magnetic moment, while those doped with Rh and Pd had nonmagnetic ground states. For the Ru-doped chain, the density of states at the Fermi level showed large spin polarization, which suggests that the doped nanowire could be used for spintronic applications.

• Ceramist
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• v.22 no.4
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• pp.350-356
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• 2019

Recently, transition metal dichalcogenide (TMDC) monolayers have been the subject of research exploring the physical phenomenon generated by low dimensionality and high symmetry. One of the keys to understanding new physical observations is the electronic band structure of 2D TMDCs. Angle-resolved photoelectron spectroscopy (ARPES) is, to this point, the best technique for obtaining information on the electronic structure of 2D TMDCs. However, through ARPES research, obtaining the long-range well-ordered single crystal samples always proves a challenging and obstacle presenting issue, which has been limiting towards measuring the electronic band structures of samples. This is particularly true in general 2D TMDCs cases. Here, we introduce the approach, with a mathematical framework, to overcome such ARPES limitations by employing the high level of symmetry of 2D TMDCs. Their high symmetry enables measurement of the clear and sharp electronic band dispersion, which is dominated by the band dispersion of single-crystal TMDCs along the two high symmetry directions Γ-K and Γ-M. In addition, we present two important studies and observations for the direct measuring of the exciton binding energy and charge transfer of 2D TMDCs, both being established by the above novel approach.

• Proceedings of the Korean Magnestics Society Conference
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• 1991.11a
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• pp.28-29
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• 1991

• Proceedings of the Korean Magnestics Society Conference
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• 1998.10a
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• pp.94-94
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• 1998

• Proceedings of the Korean Magnestics Society Conference
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• 2006.11a
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• pp.2-3
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• 2006

• Bulletin of the Korean Chemical Society
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• v.22 no.7
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• pp.779-781
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• 2001