Spin polarization of a multiple-decked sandwich clusters:: M(C6H6)2 (M = Mn, Fe, Co)

被引：11

作者：

Muhida, R ^{[1
]}

Diño, WA

Rahman, MM

Kasai, H

Nakanishi, H

机构：

[1] Osaka Univ, Dept Appl Phys, Suita, Osaka 5650871, Japan

[2] Japan Sci & Technol Agcy, Kawaguchi, Saitama 3320012, Japan

[3] De La Salle Univ, Dept Phys, Manila 1004, Philippines

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2004年 / 73卷 / 08期

关键词：

magnetic moment; spin polarization; multiple-decked sandwich cluster; density functional theory; transition metal; benzene; spin injection; non-magnetic materials;

D O I：

10.1143/JPSJ.73.2292

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We investigate the spin polarization of a multiple-decked sandwich cluster, viz., M-n,(C6H6)(n+1). As a first step, we consider M-n(C6H6)(n+l) clusters with n = 1 and M = Mn, Fe, Co. Based on the density functional theory, we find an increase in the magnetic moment of the benzene clusters, and a decrease in the magnetic moment of M in the M(C6H6)(2) systems. From increased magnetic moment of benzenes, we find a way to inject spin to benzenes through 2p(z) orbitals.

引用

页码：2292 / 2295

页数：4

共 17 条

[1] A NEW MIXING OF HARTREE-FOCK AND LOCAL DENSITY-FUNCTIONAL THEORIES [J].

BECKE, AD .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (02) :1372-1377

[2]

Cloke F, 1978, J CHEM SOC CHEM COMM, P431

[3] ELECTRON-SPIN RESONANCE AND PHOTOELECTRON STUDIES OF NEUTRAL BIS(ETA-ARENE)METAL COMPOUNDS (METAL = TI, V, NB, TA, MO, AND W) [J].

CLOKE, FGN ;

DIX, AN ;

GREEN, JC ;

PERUTZ, RN ;

SEDDON, EA .

ORGANOMETALLICS, 1983, 2 (09) :1150-1159

[4] Magnetic-adsorbate-induced spin polarization in carbon materials -: Two Fe atoms on planar C10 and C10H8 [J].

Diño, WA ;

Muhida, R ;

Nakanishi, H ;

Kasai, H .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2003, 72 (10) :2413-2416

[5]

DINO WA, IN PRESS J MAGN MAGN

[6]

Dunning T. H., 1976, MODERN THEORETICAL C

[7]

FRISCH MJ, 1995, GAUSSIAN 98 REVISION

[8]

HAY PJ, 1985, J CHEM PHYS, V82, P270, DOI 10.1063/1.448799

[9] STRUCTURES AND IONIZATION ENERGIES OF SANDWICH CLUSTERS (V-N(BENZENE)(M)) [J].

HOSHINO, K ;

KURIKAWA, T ;

TAKEDA, H ;

NAKAJIMA, A ;

KAYA, K .

JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (10) :3053-3055

[10] Magnetic properties of Fe-Ni alloy atom [J].

Kasai, H ;

Nakanishi, H ;

Kishi, T ;

Komori, F ;

Okiji, A .

SURFACE SCIENCE, 2002, 514 (1-3) :156-160

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