• 한국자기학회지
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• 제17권4호
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• pp.147-151
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• 2007

호이슬러 구조를 가진 반쪽금속 $Co_2$ZrSi와 반도체인 ZnTe이 (001)면을 따라 계면을 이루었을 때 전자구조, 자성 및 반쪽금속성을 총 퍼텐셜 선형보강평면파동(FLAPW) 방법을 이용하여 이론적으로 연구하였다. 모두 4가지 가능한 계면, 즉 ZrSi/Zn, ZrSi/Te, Co/Zn와 Co/Te을 고려하였다. 계산된 상태밀도로부터 4가지 계면에서 모두 반쪽금속성이 깨어졌음을 알 수 있었으나 Co/Te의 경우 페르미에너지에서 소수 스핀 상태밀도의 값은 영에 가까웠다. 계면에서 반쪽금속성이 파괴되는 것은 계면에서 원자들의 좌표수와 대칭성이 덩치상태와 달라지고 계면전자들 사이의 띠 혼성에 의해 덩치 $Co_2$ZrSi의 소수 스핀 띠간격에 계면상태들이 나타났기 때문이다. Co/Te의 계면에서 Co원자의 자기모멘트의 값은 "bridge"와 "antibridge" 위치에서 각각 0.68과 $0.78{\mu}_B$로서 이는 덩치 Co경우의 값($1.15{\mu}_B$)에 비하여 크게 감소한 것이다. Co/Zn에서 "bridge"와 "antibridge" 위치에 있는 Co원자의 자기모멘트는 각각 1.16과 $0.93{\mu}_B$의 값을 가졌다. 반면 ZrSi/Zn와 ZrSi/Te의 경우 계면 바로 밑층의 Co원자들은 $1.13{\sim}1.30\;{\mu}_B$ 사이의 자기모멘트를 가졌는데 이는 덩치 $Co_2$ZrSi에서의 값과 비슷하거나 약간 증가한 값이다.

• Journal of Magnetics
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• 제13권4호
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• pp.144-148
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• 2008

The size and surface effects on the magnetism of a fcc Fe (001) surface was investigated by performing firstprinciples calculations on 3, 5, 7, and 9 monolayers fcc Fe (001) single slabs with two different two-dimensional lattice constants, ${\alpha}=3.44{\AA}$ (System I) and 3.65 ${\AA}$ (System II), using the all-electron full-potential linearized augmented plane wave method within a generalized gradient approximation. The surface layers were coupled ferromagnetically to the subsurface layer in both systems. However, the magnetism of the inner layers was quite different from each other. While all the inner layers of System II were ferromagnetically coupled in the same way as the surface layer, the inner layers of System I showed a peculiar magnetism, bilayer antiferromagnetism. The calculated spin magnetic moments per Fe atom were approximately 2.7 and 2.9 ${\mu}_B$ at the surface for Systems I and II, respectively, due to the almost occupied Fe d-state being in the majority spin state and band narrowing. The spin orientations of System I were out-of-plane regardless of its thickness, whereas the orientation of System II changed from out-of-plane to in-plane with increasing thickness.

• 한국자기학회지
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• 제5권5호
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• pp.515-518
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• 1995

We have studied the magnetization in fields up to 1T at 5K, the saturation magnetization dependence on temperature and the temperature dependence of AC-susceptibility at very low fields (5mOe to 50mOe) of glassy $Fe_{91-x}Zr_{7}B_{2}Ni_{x}$ (x = 0, 5, 10, 15) alloys. The temperature dependence of the magnetization follows the predictions of spin wave excitations with long wavelengths. At zero Ni concentration there is a clear competition between ferromagnetic and antiferromagnetic interactions giving rise to spin-glass behaviour. The addition of Ni drastically modifies the magnetic properties: the antiferromagnetic exchange coupling is reduced and finally disappears, the spin wave stiffness increases from 39.5 to $87.3\;meV{\AA}^{2}$ and To increases from 230 K to 478 K. We develop a simple model to quantify the competing interactions and to relate the antiferromagnetically coupled Fe moments to the Ni concentration. We find that the initial susceptibility increases with increasing Ni content along with a decrease of the temperature dependence.

• 한국자기학회:학술대회 개요집
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• 한국자기학회 2009년도 정기총회 및 동계학술연구발표회
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• pp.72-73
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• 2009

First-principles calculations were carried out to investigate the effects of Al impurities on bcc Fe magnetism by considering SOC. No significant solid solution hardening effect was found. Albeit the effects of the SOC by Al on spin magnetic moments were minor, there are sizeable orbital magnetic effects. It is concluded that the orbital magnetism due to the Al impurity is strongly related with the impurity screening of the system as seen in Si impurity case [3], but the effects of Al impurity is stronger than those of Si impurity in terms of orbital magnetism.

• Journal of Magnetics
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• 제10권1호
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• pp.1-4
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• 2005

We investigated the electronic structures and the magnetic properties of Ti-based intermetallic system of CoTi/FeTi/CoTi(110) surface and interface by using the all-electron full potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). The calculated magnetic moments of interface Co and Fe atoms are 0.65 and 0.15 μ/sub B/, respectively. Surface and interface magnetism of CoTi/FeTi/CoTi(110) are discussed using the calculated density of states (DOS) and the spin densities.

• Bulletin of the Korean Chemical Society
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• 제23권12호
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• pp.1754-1758
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• 2002

Tetrathiafulvalene(TTF) reacts with $PdCl_2,Pd(NO_3)_2$ and $Pd(hfacac)_2$(hexafluoroacetylacetonate) in ethanol to give $(TTF)_{1.5}PdCl_2$ (1a), $(TTF)_3Pd(NO_3)_2$ (1b) and $(TTF)_4Pd(hfacas)_2$ nd (1c), respectively. $PdCl(TCNQ)_{2.5}{\cdot}CH_3OH(2a)$was obtained from the reaction of $PdCl_2$ with LiTCNQ in methanol via the partial replacement of $Cl^-$ in $PdCl_2$ by $TCNQ^-$anion, whereas the total substitution of the labile $NO_3^-$ in $Pd(NO_3)_2$ yielded pd(TCNQ)·$CH_3OH$ (2b). $Pd(hfacac)_2(TCNQ)_2\cdot3CH_3OH$ (2c) was obtained from $Pd(hfacac)_2$ and LiTCNQ in methanol. The prepared compounds were characterized by spectroscopic (IR, UV, XPS) methods and magnetic (EPR, magnetic susceptibility) studies. The powdered electrical conductivities (${\sigma}_{rt}$) of the prepared compounds at room temperature were about~$10^{-7}S{\cdot}cm^{-1}$. The effective magnetic moments were lass than the spin-only value of one unpaired electron and no EPR signals from Pd metal ions were observed in any of the compounds, indicating that the Pd ions were diamagnetic and the magnetic moments arose from$(TTF)_n$ or $(TCNQ)_n$ moieties. The experimental evidences revealed that the charge transfer had occurred form $(TTF)_n$ moiety to the central Pd metal ion in 1a, 1b and 1c. Thus the TTF donors were ions in 2a and 2b were diamagnetic Pd(II) oxidation state. In contrast, the Pd metal ion was oxidized to Pd(IV) state in 2c as a result of an addition of $TCNQ^-$anion to $Pd(hfacac)_2$ in methanol. The oxidation states of the Pd metal ions were confirmed using the x-ray photoelectron spectroscopy.

• 한국진공학회지
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• 제16권4호
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• pp.262-266
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• 2007

Mn 치환이 역스피넬 산화물 $Fe_3O_4$에 미치는 영향을 조사하기 위하여 졸겔 스핀코팅 방법을 이용하여 다결정 $Mn_xFe_{3-x}O_4$ 박막을 Si(100) 기판 위에 제작하고 그 구조적, 자기적, 자기저항특성들에 대한측정 및 분석을 수행하였다. X-선 회절 측정 결과, Mn 성분비가 증가함에 따라 x = 1.78까지 입방 구조를 유지하며, 그 격자상수는 증가함을 나타내었다. 이와 같은 격자상수 증가의 주된 원인으로 사면체 자리를 선호하는 $Mn^{2+}$ 이온이 이온반경이 상대적으로 작은 사면체 자리의 $Fe^{3+}$ 이온을 치환함에 의한 것으로 해석된다. 박막들에 대한 진동시료자화 측정 결과, Mn 성분비 증가에 따라 포화자화량은 큰 변화를 나타내지 않았는데, Mn과 Fe 이온들의 스핀 자기능률 값 비교를 통하여 그 정성적인 설명이 가능하다. 반면 Mn의 농도가 증가함에 따라 보자력은 감소하였는데, 이는 $Mn^{2+}$ 치환에 의한 $Fe^{2+}$ 이온 농도의 감소에 따르는 자기 이방성의 감소에 기인하는 것으로 해석된다. 자기저항 효과측정 결과, Mn 성분비 증가에 따라 감소하는 경향을 보였으며, 자화 의존도 변화와 비교분석 결과 다결정 $Mn_xFe_{3-x}O_4$ 박막 시료들에서 나타나는 자기저항은 스핀분극된 carrier의 grain boundary tunneling 및 spin-flip 현상에 의한 것으로 해석된다.

• 한국자기학회지
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• 제15권1호
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• pp.1-6
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• 2005

높은 큐리온도를 가질 수 것으로 예측된 전이금속이 도핑된 ZnO의 전자구조와 자성을 제일원리계산방법을 이용하여 연구하였다. 본 연구에서 전이금속은 Ti, Cr, Mn, Fe, Co, Ni, Ru, Pd, Ag 이고 도핑 수준은 25%로 두고 계산하였다. 자성연구에서 가장 적합한 방법으로 알려져 있는 Full-potential Linearized Augmented Plane Wave(FLAPW)방법을 사용하였으며 교환-상관 전위는 general gradient approximation(GGA)를 사용하였다. 도핑된 전이금속 (Ti, Cr, Mn, Fe, Co, Ni, Ru, Pd, Ag)은 각각 0.83, 3.03, 4.03, 3.48, 2.47, 1.56, 0.43, 0.75, 0.01 ${\mu}_B$의 자기모멘트를 가지며, 전이금속에 이웃한 O 원자도 가안 띠혼성으로 측정 가능한 자기모멘트를 가질 수도 있는 것으로 계산되었다. 3d 전이금속이 도핑된 ZnO는 (CoZnO를 제외하고) 절반금속 특성을 가지는 것으로 계산되었다. 또한 4d 전이금속이 도핑된 경우는 강자성 상태가 상자성 상태에 비해 에너지차이가 크지 않을 뿐 아니라 페르미 준위에 다수 스핀과 소수 스핀 상태 모두가 페르미 준위에 위치해 있어 스핀분극 정도가 낮았다.

• 한국자기학회:학술대회 개요집
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• 한국자기학회 2013년도 임시총회 및 하계학술연구발표회
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• pp.15-16
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• 2013

Magnetization behavior of ultra thin $Fe_xCo_{1-x}$ alloy (where x varies from 0 to 100) has been investigated as functions of composition on Cr (100) substrate by using in situ surface magneto optical Kerr effect (SMOKE). It's always show in plane uniaxial magnetic anisotropy at room temperature (RT) & Low temperature (LT). It is observed that composition dependent coercive force maximum at about 30 at % Co and 70 at % Co atomic ratio and minimum near equiatomic site. The relative magnetic moments as composition variation also show magnetization collapse near equiatomic site. The magnetization behaviors of Fe-Co alloy on Cr (100) due to composition varies are supported the order-disordering as well as structural stability bcc (ferromagnetic)/fcc (anti-ferromagnetic) phase stability magnetism.

• 한국세라믹학회지
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• 제48권6호
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• pp.577-583
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• 2011

Stabilized biocompatible superparamagnetic iron oxide nanoparticles (SPIONs) were prepared by controlled coprecipitation method for hyperthermia application. ESR measurements determined that all of the interactions in the individual SPIONs (1 nm and 11 nm) were antiferromagnetic in nature because the ions contributed to the magnetization with a range of magnetic moments. In-situ monitoring of the temperature increment was performed, showing that the microwave absorption rate of the SPIONs was dispersed in an appropriate host media (polar or non-polar solvents) during microwave irradiation. Microwave absorption energy rates and heat loss of SPIONs in solvent were calculated by non-linear data fitting with an energy balance equation. The microwave absorption rates of SPIONs dispersed in solvent linearly increases when the concentration of SPIONs increases, implying that the microwave absorption rate can be tunable by changing the concentration of SPIONs.