Dimer growth, structural transition, and antiferromagnetic ordering of small chromium clusters

被引：127

作者：

Cheng, HS

Wang, LS

机构：

[1] WASHINGTON STATE UNIV,DEPT PHYS,RICHLAND,WA 99352

[2] PACIFIC NW NATL LAB,ENVIRONM MOLEC SCI LAB,RICHLAND,WA 99352

来源：

PHYSICAL REVIEW LETTERS | 1996年 / 77卷 / 01期

关键词：

D O I：

10.1103/PhysRevLett.77.51

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The evolution of structural and magnetic properties of small chromium clusters towards the bulk is elucidated through a systematic density functional study. A tightly bound Cr-2 dimer is found to play a key role in determining the cluster structures. A unique dimer growth route is discovered for clusters up to Cr-11, at which a structural transition occurs from the dimer growth to a bulklike body-centered-cubic structure. All the clusters exhibit antiferromagnetic ordering with size-dependent magnetic moments.

引用

页码：51 / 54

页数：4

共 21 条

[1]

ANDERSSON L, 1995, CHEM PHYS LETT, V237, P212

[2]

*BIOS TECHN, 1994, DMOL V2 3 6

[3]

BLOOMFIELD L, COMMUNICATION

[4] NEGATIVE-ION PHOTOELECTRON-SPECTROSCOPY OF CR-2 [J].

CASEY, SM ;

LEOPOLD, DG .

JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (04) :816-830

[5]

CHENG HK, IN PRESS

[6] MAGNETIC STUDIES OF FREE NONFERROMAGNETIC CLUSTERS [J].

DOUGLASS, DC ;

BUCHER, JP ;

BLOOMFIELD, LA .

PHYSICAL REVIEW B, 1992, 45 (11) :6341-6344

[7] MODIFIED GENERALIZED VALENCE-BOND METHOD - A SIMPLE CORRECTION FOR THE ELECTRON CORRELATION MISSING IN GENERALIZED VALENCE-BOND WAVE-FUNCTIONS - PREDICTION OF DOUBLE-WELL STATES FOR CR-2 AND MO-2 [J].

GOODGAME, MM ;

GODDARD, WA .

PHYSICAL REVIEW LETTERS, 1985, 54 (07) :661-664

[8]

Kittel C., 1986, Introduction to Solid State Physics, V6th

[9] OBSERVATION OF A SURFACE MAGNETIC PHASE-TRANSITION ON CR(100) [J].

KLEBANOFF, LE ;

ROBEY, SW ;

LIU, G ;

SHIRLEY, DA .

PHYSICAL REVIEW B, 1984, 30 (02) :1048-1051

[10] EXPERIMENTAL AND THEORETICAL INVESTIGATIONS OF CR(001) SURFACE ELECTRONIC-STRUCTURE [J].

KLEBANOFF, LE ;

VICTORA, RH ;

FALICOV, LM ;

SHIRLEY, DA .

PHYSICAL REVIEW B, 1985, 32 (04) :1997-2005

← 1 2 3 →