CALCULATED SURFACE-ENERGY ANOMALY IN THE 3D METALS

被引：62

作者：

ALDEN, M ^{[1
]}

SKRIVER, HL ^{[1
]}

MIRBT, S ^{[1
]}

JOHANSSON, B ^{[1
]}

机构：

[1] TECH UNIV DENMARK,APPL PHYS LAB,DK-2800 LYNGBY,DENMARK

来源：

PHYSICAL REVIEW LETTERS | 1992年 / 69卷 / 15期

关键词：

D O I：

10.1103/PhysRevLett.69.2296

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Local-spin-density theory and a Green's-function technique based on the linear muffin-tin orbitals method have been used to calculate the surface energy of the 3d metals. The theory explains the variation of the values derived from measurements of the surface tension of liquid metals including the pronounced anomaly occurring between vanadium and nickel in terms of a decrease in the d contribution caused by spin polarization.

引用

页码：2296 / 2298

页数：3

共 25 条

[1] ALDEN M, IN PRESS
[2] Allen B.C., 1972, LIQUID METALS CHEM P, P161
[3] Andersen O. K., 1985, HIGHLIGHTS CONDENSED
[4] LINEAR METHODS IN BAND THEORY
ANDERSEN, OK
[J]. PHYSICAL REVIEW B, 1975, 12 (08): : 3060 - 3083
[5] ILLUSTRATION OF THE LINEAR-MUFFIN-TIN-ORBITAL TIGHT-BINDING REPRESENTATION - COMPACT ORBITALS AND CHARGE-DENSITY IN SI
ANDERSEN, OK
PAWLOWSKA, Z
JEPSEN, O
[J]. PHYSICAL REVIEW B, 1986, 34 (08): : 5253 - 5269
[6] EXCHANGE INTEGRAL MATRICES AND COHESIVE ENERGIES OF TRANSITION-METAL ATOMS
BROOKS, MSS
JOHANSSON, B
[J]. JOURNAL OF PHYSICS F-METAL PHYSICS, 1983, 13 (10): : L197 - L202
[7] De Boer F. R., 1988, COHESION METALS
[8] FRIEDEL J, 1976, ANN PHYS-PARIS, V1, P257
[9] SURFACE MAGNETISM OF THE CLEAN NI(111) SURFACE AND OF A NI MONOLAYER ON CU(111)
FU, CL
FREEMAN, AJ
[J]. JOURNAL DE PHYSIQUE, 1988, 49 (C-8): : 1625 - 1626
[10] Jorgensen C. K., 1962, ORBITALS ATOMS MOL

← 1 2 3 →