Magnetism of the V(001) surface in the generalized gradient approximation

被引：29

作者：

Bryk, T ^{[1
]}

Bylander, DM ^{[1
]}

Kleinman, L ^{[1
]}

机构：

[1] Univ Texas, Dept Phys, Austin, TX 78712 USA

来源：

PHYSICAL REVIEW B | 2000年 / 61卷 / 06期

关键词：

D O I：

10.1103/PhysRevB.61.R3780

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using the generalized gradient approximation we have calculated the magnetic properties of a seven layer V(001) film at the experimental lattice constant with and without a -6.25% surface relaxation. With the relaxed film we found a magnetization of 1.452 mu(B), for the surface atom and antiparallel magnetizations of -0.698 mu(B), -0.352 mu(B), and -0.149 mu(B) on the subsurface atoms. This contrasts with a local spin-density approximation calculation which found no surface magnetization.

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页码：R3780 / R3783

页数：4

相关论文

共 32 条

[11] Experimental evidence of magnetic ordering at the Rh(100) surface [J].

Goldoni, A ;

Baraldi, A ;

Comelli, G ;

Lizzit, S ;

Paolucci, G .

PHYSICAL REVIEW LETTERS, 1999, 82 (15) :3156-3159

[12] SPIN FLUCTUATIONS AT THE SURFACE OF VANADIUM [J].

GREMPEL, DR ;

YING, SC .

PHYSICAL REVIEW LETTERS, 1980, 45 (12) :1018-1021

[13] Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids [J].

Holzwarth, NAW ;

Matthews, GE ;

Dunning, RB ;

Tackett, AR ;

Zeng, Y .

PHYSICAL REVIEW B, 1997, 55 (04) :2005-2017

[14]

Kittel C., 2018, Introduction to solid state physics, V8th

[15] FERROMAGNETISM OF THE RH(001) SURFACE - REPLY [J].

KLEINMAN, L ;

BYLANDER, DM ;

MORRISON, I .

PHYSICAL REVIEW LETTERS, 1993, 71 (24) :4098-4098

[16] From ultrasoft pseudopotentials to the projector augmented-wave method [J].

Kresse, G ;

Joubert, D .

PHYSICAL REVIEW B, 1999, 59 (03) :1758-1775

[17] THE SURFACE FREE-ENERGIES OF SOLID CHEMICAL-ELEMENTS - CALCULATION FROM INTERNAL FREE ENTHALPIES OF ATOMIZATION [J].

MEZEY, LZ ;

GIBER, J .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1982, 21 (11) :1569-1571

[18] NONLOCAL HERMITIAN NORM-CONSERVING VANDERBILT PSEUDOPOTENTIAL [J].

MORRISON, I ;

BYLANDER, DM ;

KLEINMAN, L .

PHYSICAL REVIEW B, 1993, 47 (11) :6728-6731

[19] FERROMAGNETISM OF THE RH(001) SURFACE [J].

MORRISON, I ;

BYLANDER, DM ;

KLEINMAN, L .

PHYSICAL REVIEW LETTERS, 1993, 71 (07) :1083-1086

[20] ANTIFERROMAGNETISM IN 3D TRANSITION-METALS [J].

MORUZZI, VL ;

MARCUS, PM .

PHYSICAL REVIEW B, 1990, 42 (13) :8361-8366

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