Effect of chromium on the electronic structure and magnetic properties of cementite

被引：13

作者：

Medvedeva, N. I. ^{[1
]}

Shein, I. R. ^{[1
]}

Konyaeva, M. A. ^{[1
]}

Ivanovskii, A. L. ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Solid State Chem, Ural Div, Ekaterinburg 620219, Russia

来源：

PHYSICS OF METALS AND METALLOGRAPHY | 2008年 / 105卷 / 06期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1134/S0031918X08060069

中图分类号：

TF [冶金工业];

学科分类号：

0806 ;

摘要：

Using ab initio methods, the influence of chromium on the electron structure and magnetic properties of cementite Fe3C has been investigated depending on the chromium concentration and the possibility of the formation of a chromium carbide Cr3C has been considered. It has been established that it is the general positions of iron in the lattice of cementite that are most energetically preferable for the substitution by chromium. Chromium leads to a strengthening of interatomic interactions and the change in the sign of the enthalpy of formation in the Fe3-xCrxC system at x = 1.9. The magnetic moments at the atoms of chromium and iron are oriented antiferromagnetically and the total magnetization of the alloyed system decreases with increasing chromium concentration.

引用

页码：568 / 573

页数：6

共 24 条

[1] FERROMAGNETISM IN IRON-CHROMIUM ALLOYS .2. NEUTRON-SCATTERING STUDIES [J].

ALDRED, AT ;

RAINFORD, BD ;

KOUVEL, JS ;

HICKS, TJ .

PHYSICAL REVIEW B, 1976, 14 (01) :228-234

[2] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[3]

CHIOU CW, 2003, SURF SCI, V1, P87

[4] MAGNETIC MOMENT DISTRIBUTION AROUND TRANSITION ELEMENT IMPURITIES IN IRON AND NICKEL [J].

COLLINS, MF ;

LOW, GG .

PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1965, 86 (551P) :535-&

[5] ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES OF DILUTE FE ALLOYS WITH TRANSITION-METAL IMPURITIES [J].

DRITTLER, B ;

STEFANOU, N ;

BLUGEL, S ;

ZELLER, R ;

DEDERICHS, PH .

PHYSICAL REVIEW B, 1989, 40 (12) :8203-8212

[6]

Entin R.I, 1977, TRANSFORMATIONS IRON, P238

[7] ON CEMENTITE STRUCTURE [J].

FASISKA, EJ ;

JEFFREY, GA .

ACTA CRYSTALLOGRAPHICA, 1965, 19 :463-&

[8]

GAVRILYUK VG, 1987, CARBON DISTRIBUTION

[9] COHESIVE PROPERTIES AND VIBRATIONAL ENTROPY OF 3D TRANSITION-METAL COMPOUNDS - MC,MN,MO,MS (NACL) COMPOUNDS, COMPLEX CARBIDES, AND NITRIDES [J].

GUILLERMET, AF ;

GRIMVALL, G .

PHYSICAL REVIEW B, 1989, 40 (15) :10582-10593

[10] ELECTRONIC-STRUCTURE, X-RAY PHOTOEMISSION SPECTRA, AND TRANSPORT-PROPERTIES OF FE3C (CEMENTITE) [J].

HAGLUND, J ;

GRIMVALL, G ;

JARLBORG, T .

PHYSICAL REVIEW B, 1991, 44 (07) :2914-2919

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