Magnetic states for V(001) bcc surface: An ab initio study

被引：1

作者：

Felix-Medina, R. E. ^{[1
]}

Leyva-Lucero, M. A. ^{[1
]}

Meza-Aguilar, S. ^{[1
]}

机构：

[1] Univ Autonoma Sinaloa, Escuela Ciencias Fisicomatemat, Culiacan 80010, Sinaloa, Mexico

来源：

JOURNAL OF APPLIED PHYSICS | 2009年 / 105卷 / 07期

关键词：

GENERALIZED GRADIENT APPROXIMATION;

D O I：

10.1063/1.3061787

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Recent magneto-optical kerr effect and low energy electron diffraction experiments on V (001) surface probed the existence of surface magnetism. Following these experiments the authors performed an ab initio study for the magnetic states of V(001) surface using a plane wave self-consistent field code. The generalized gradient approximation is used to treat the exchange correlation potential. Structural optimization is considered for the systems. The results obtained from the study of V(001) bcc surface show metastable magnetic states with an energy difference, with respect to the ground state, less than 10 meV/atom. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3061787]

引用

页数：2

共 15 条

[1] EXPLICIT, 1ST-PRINCIPLES TIGHT-BINDING THEORY [J].

ANDERSEN, OK ;

JEPSEN, O .

PHYSICAL REVIEW LETTERS, 1984, 53 (27) :2571-2574

[2] ILLUSTRATION OF THE LINEAR-MUFFIN-TIN-ORBITAL TIGHT-BINDING REPRESENTATION - COMPACT ORBITALS AND CHARGE-DENSITY IN SI [J].

ANDERSEN, OK ;

PAWLOWSKA, Z ;

JEPSEN, O .

PHYSICAL REVIEW B, 1986, 34 (08) :5253-5269

[3] Magnetism of the V(001) surface: Contradictory results from pseudopotential and linearized augmented plane-wave calculations [J].

Batyrev, IG ;

Cho, JH ;

Kleinman, L .

PHYSICAL REVIEW B, 2001, 63 (17)

[4] Electronic and magnetic structure of the (001) surfaces of V, Cr, and V/Cr [J].

Bihlmayer, G ;

Asada, T ;

Blügel, S .

PHYSICAL REVIEW B, 2000, 62 (18) :11937-11940

[5] Magnetism of the V(001) surface in the generalized gradient approximation [J].

Bryk, T ;

Bylander, DM ;

Kleinman, L .

PHYSICAL REVIEW B, 2000, 61 (06) :R3780-R3783

[6] A SPIN DEPENDENT VERSION OF THE LANGRETH-MEHL EXCHANGE-CORRELATION FUNCTIONAL [J].

HU, CD ;

LANGRETH, DC .

PHYSICA SCRIPTA, 1985, 32 (04) :391-396

[7] THE SURFACE-STRUCTURE OF V(100) [J].

JENSEN, V ;

ANDERSEN, JN ;

NIELSEN, HB ;

ADAMS, DL .

SURFACE SCIENCE, 1982, 116 (01) :66-84

[8] Multilayer relaxation and search for ferromagnetic order at the (100) surface of bulk paramagnetic vanadium [J].

Lacina, D. ;

Yang, J. ;

Erskine, J. L. .

PHYSICAL REVIEW B, 2007, 75 (19)

[9] EASILY IMPLEMENTABLE NONLOCAL EXCHANGE-CORRELATION ENERGY FUNCTIONAL [J].

LANGRETH, DC ;

MEHL, MJ .

PHYSICAL REVIEW LETTERS, 1981, 47 (06) :446-450

[10] Self-consistent order-N density-functional calculations for very large systems [J].

Ordejon, P ;

Artacho, E ;

Soler, JM .

PHYSICAL REVIEW B, 1996, 53 (16) :10441-10444

← 1 2 →