• Investigative Magnetic Resonance Imaging
• /
• v.10 no.2
• /
• pp.70-80
• /
• 2006

Spin echo gradient moment nulling pulse sequences were designed and implemented on a clinical magnetic resonance imaging system. A new technique was introduced for flow compensation that minimized echo time and effectively suppresses unwanted echoes on the slice selection gradient axis in spin echo sequences. A unified gradient shape was used in all orders of flow compensation up to the third order. A dual-purpose gradient was applied for flow compensation and to reduce unwanted artifacts. The sequences were used to generate images of phantoms and/or human brains. This technique was especially good at reducing eddy currents and artifacts related to imperfection of the refocusing pulse. The developed sequences were found to have shorter echo times and better flow compensation in through-plane flow than those of the previous models that were used by other investigators.

• Journal of Magnetics
• /
• v.13 no.2
• /
• pp.76-80
• /
• 2008

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.

• Journal of Magnetics
• /
• v.9 no.4
• /
• pp.113-115
• /
• 2004

The magnetization properties have been measured for amorphous $Fe_{82}Mn_{8-x}B_xZr_{10}$ (x = 0-8) alloys. The temperature dependence of magnetization for these alloys shows the existence of antiferromagnetic couplings between Fe atoms in low fields at low temperatures. The magnetic parameters, obtained from the magnetization behavior are consistent with the presence of mixed magnetic state. The Curie temperature and magnetic moment increased with an increase of the concentration of B and spin glass like transition observed at low temperature decreases and finally vanishes at x = 8 at %. Our result suggests that the substitution of B for Mn seems to cause an increase of magnetic order.

• Journal of Magnetics
• /
• v.13 no.4
• /
• pp.115-119
• /
• 2008

The authors predicted that $Co_2HfSi$, a $Co_2$-based full Heusler alloy, is being a half-metallic ferromagnet by first-principles calculations using the all electron full-potential linearized augmented plane wave method which adopts the generalized gradient approximation. The integer value of the calculated total magnetic moment of 2.00 ${\mu}_B$ per formula unit and a spin gap of 0.69 eV in spin down state confirmed the half-metallicity of bulk $Co_2HfSi$. For the $Co_2HfSi$(001) surface, we considered two possible surface terminations, namely, Co terminated and HfSi terminated surfaces. It was found that half-metallicity was retained at the HfSi-terminated surface but not at the Co-terminated surface. The magnetic moment of surface Co atoms in the Co-terminated surface was slightly lower than that of Co atoms in deep inner-layers, whereas the magnetic moments of Hf and Si atoms at the HfSi-terminated surface were almost same as those in deep inner-layers.

• Journal of Magnetics
• /
• v.16 no.1
• /
• pp.1-5
• /
• 2011

The magnetism and electronic structure of bcc $Al_1Fe_{26}$ was investigated by means of first-principles calculations with and without spin-orbit coupling (SOC). From the calculated total energy, the SOC corrected system is shown to be approximately 5 meV per atom lower than the SOC uncorrected system. The induced spin magnetic moment at the Al site was -0.125 ${\mu}_B$ without SOC and -0.124 ${\mu}_B$ with SOC. The orbital magnetic moments were calculated to be 0.002 ${\mu}_B$ in [$\overline{1}$00] direction for Al. The electronic structures showed the nearest neighbor antiferromagnetic interaction between Fe and Al to be essential for determining the magnetism of the $Al_1Fe_{26}$ system.

• Journal of Magnetics
• /
• v.12 no.2
• /
• pp.68-71
• /
• 2007

Even a pure bulk Fe has a complicated magnetic phase and its magnetism is still needed to be clarified. In this study we investigated the magnetism of bcc and fcc bulk Fe with total energy calculations as functions of atomic volume. The full-potential linearized augmented plane wave method was adopted within a generalized gradient approximation. The ground state of bulk Fe is confirmed to be of ferromagnetic (FM) bcc. For fcc structured Fe an antiferromagnetic (AFM) state is more stable compared to FM states which exist as low spin and high spin states. The stable AFM states were found to accompany a tetragonal distortion, while the FM states remained in a cubic symmetry. At an expanded lattice constant a high spin FM state was calculated to be able to be stabilized with significant enhanced magnetic moment compared to the value of the ground state, bcc FM.

• Nuclear Engineering and Technology
• /
• v.51 no.5
• /
• pp.1373-1380
• /
• 2019

Besides promising implications as fertile nuclear materials, thorium carbonitrides are of great interest owing to their peculiar physical and chemical properties, such as high density, high melting point, good thermal conductivity. This paper reports first-principles simulation results on the structural, electronic and magnetic properties of cubic thorium carbonitrides $ThC_xN_{(1-x)}$ (X = 0.03125, 0.0625, 0.09375, 0.125, 0.15625) employing formalism of density-functional-theory. For the simulation of physical properties, we incorporated full-potential linearized augmented plane-wave (FPLAPW) method while the exchange-correlation potential terms in Kohn-Sham Equation (KSE) are treated within Generalized-Gradient-Approximation (GGA) in conjunction with Perdew-Bruke-Ernzerhof (PBE) correction. The structural parameters were calculated by fitting total energy into the Murnaghan's equation of state. The lattice constants, bulk moduli, total energy, electronic band structure and spin magnetic moments of the compounds show dependence on the C/N concentration ratio. The electronic and magnetic properties have revealed non-magnetic but metallic character of the compounds. The main contribution to density of states at the Fermi level stems from the comparable spectral intensity of Th (6d+5f) and (C+N) 2p states. In comparison with spin magnetic moments of ThSb and ThBi calculated earlier with LDA+U approach, we observed an enhancement in the spin magnetic moments after carbon-doping into ThN monopnictide.

• Journal of Magnetics
• /
• v.15 no.2
• /
• pp.51-55
• /
• 2010

The electronic and magnetic properties of Cu-doped GaN with a Cu concentration of 6.25% and 12.5% are examined theoretically using the full-potential linear muffin-tin orbital method. The magnetic moment of Cu atoms decreases with increasing Cu concentration. The spin-polarization of Cu atoms is reduced due to the Cu d-d interaction depending on the distance between the nearest neighbouring Cu atoms. Cu atoms exhibits a clustering tendency in GaN. For Cu-adsorbed GaN thin films with a surface coverage of 0.25, the ferromagnetic state is found to be the energetically favourable state with an induced magnetic moment of $0.54\;{\mu}_B$ per supercell.

• Proceedings of the Polymer Society of Korea Conference
• /
• 2006.10a
• /
• pp.23-24
• /
• 2006

Magnetic and magneto-optical properties of regioregular (>99%) poly(3-dodecylthiopenes are investigated. Faraday rotation of spin-coated films show extremely large Verdet constants, falling strongly with decreasing regioregularity. EPR spectroscopy at room temperature shows the presence of about 1 spin/190 monomers, indicative of delocalisation beyond a single polymer chain. SQUID measurements on the polymer give an effective magnetic moment of about 48900 mB, corrsponding to a S-value of 25.000. The Weiss-constant is 1.33 K indicating ferromagnetic coupling. Our experimental results show that organic polymer magnets can be prepared. Large MO effects allow the use of these materials in all-organic MO-sensors and devices.

• Journal of the Korean Physical Society
• /
• v.73 no.11
• /
• pp.1691-1697
• /
• 2018

Employing the density functional theory, we have investigated the roles of Coulomb and Hund's interactions in the electronic and magnetic properties of newly discovered ${\alpha}-RuCl_3$ having the $R{\overline{3}}$ symmetry, which is in close proximity of the Kitaev system. We show that both the size and the direction of local magnetic moment are highly dependent on Coulomb and Hund's interactions, and the spin and orbital parts show different behaviors. The validity of the so-called $j^{eff}$ picture is accessed upon interaction parameters, and the explicit roles of Hund's interaction in the local electronic structures and magnetic properties are discussed.