VAN HOVE SINGULARITY INDUCED L1(1) ORDERING IN CUPT

被引：37

作者：

CLARK, JF

PINSKI, FJ

JOHNSON, DD

STERNE, PA

STAUNTON, JB

GINATEMPO, B

机构：

[1] SANDIA NATL LABS,DEPT COMPUTAT MATH SCI,LIVERMORE,CA 94551

[2] UNIV CALIF DAVIS,DEPT PHYS,DAVIS,CA 95616

[3] LAWRENCE LIVERMORE NATL LAB,DEPT CHEM & MAT SCI,LIVERMORE,CA 94551

[4] UNIV WARWICK,DEPT PHYS,COVENTRY CV4 7AL,W MIDLANDS,ENGLAND

[5] UNIV MESSINA,IST FIS TEOR,MESSINA,ITALY

来源：

PHYSICAL REVIEW LETTERS | 1995年 / 74卷 / 16期

关键词：

D O I：

10.1103/PhysRevLett.74.3225

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We describe an ordering mechanism that arises due to coupling between electronic states at van Hove singularities. This novel mechanism, which naturally leads to ordered structures with small unit cells, couples states near the Fermi energy which are localized at high-symmetry points in k space, in contrast to the conventional mechanism which relies on large parallel sheets of Fermi surface. Using first-principles calculations of the electronic structure of ordered and disordered alloys, we show that this mechanism drives the unusual short- and long-range order found in fcc CuPt. © 1995 The American Physical Society.

引用

页码：3225 / 3228

页数：4

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