MAGNETISM AND BONDING IN LIGHT ACTINIDE AND RARE-EARTH SYSTEMS

被引：21

作者：

ERIKSSON, O ^{[1
]}

BROOKS, MSS ^{[1
]}

JOHANSSON, B ^{[1
]}

ALBERS, RC ^{[1
]}

BORING, AM ^{[1
]}

机构：

[1] UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545

来源：

JOURNAL OF APPLIED PHYSICS | 1991年 / 69卷 / 08期

关键词：

D O I：

10.1063/1.347865

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The importance of including all of Hund's rules in self-consistent electronic-structure calculations in solids is pointed out. We present a scheme that accounts for the interactions that lead to these rules, and we give examples of when these interactions become important. Calculated ground state properties (chemical bonding, magnetic moment, magnetic form factor) of actinide and rare earth systems are found to agree better with experiment when all Hund's rules are accounted for. On the other hand, but also in agreement with experiment, we find that Hund's second and third rule contributions for Fe, Co, and Ni are small.

引用

页码：5897 / 5902

页数：6

共 30 条

[1] LINEAR METHODS IN BAND THEORY [J].

ANDERSEN, OK .

PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083

[2] ELECTRONIC-STRUCTURE AND MAGNETIC-BEHAVIOR OF UMN2 AND UFE2 [J].

BORING, AM ;

ALBERS, RC ;

SCHADLER, GH ;

LAWSON, AC ;

WEINBERGER, P ;

CHRISTENSEN, NE .

PHYSICAL REVIEW B, 1987, 36 (10) :5507-5511

[3] LARGE ORBITAL-MOMENT CONTRIBUTION TO 5F BAND MAGNETISM [J].

BROOKS, MSS ;

KELLY, PJ .

PHYSICAL REVIEW LETTERS, 1983, 51 (18) :1708-1711

[4] RELATIVISTIC CORRECTIONS TO THE ATOMIC VOLUMES OF THE ACTINIDE METALS [J].

BROOKS, MSS .

JOURNAL OF PHYSICS F-METAL PHYSICS, 1983, 13 (01) :103-108

[5] SPIN-POLARIZED ENERGY-BANDS OF UFE2 [J].

BROOKS, MSS ;

ERICKSSON, O ;

JOHANSSON, B .

PHYSICA SCRIPTA, 1987, 35 (01) :52-53

[6] CALCULATED GROUND-STATE PROPERTIES OF LIGHT ACTINIDE METALS AND THEIR COMPOUNDS [J].

BROOKS, MSS .

PHYSICA B & C, 1985, 130 (1-3) :6-12

[7] EXCHANGE INTEGRAL MATRICES AND COHESIVE ENERGIES OF TRANSITION-METAL ATOMS [J].

BROOKS, MSS ;

JOHANSSON, B .

JOURNAL OF PHYSICS F-METAL PHYSICS, 1983, 13 (10) :L197-L202

[8] RELATIVISTIC STONER THEORY APPLIED TO PUSN3 [J].

ERIKSSON, O ;

BROOKS, MSS ;

JOHANSSON, B .

PHYSICAL REVIEW B, 1989, 39 (18) :13115-13119

[9] ORBITAL MAGNETISM IN FE, CO, AND NI [J].

ERIKSSON, O ;

JOHANSSON, B ;

ALBERS, RC ;

BORING, AM ;

BROOKS, MSS .

PHYSICAL REVIEW B, 1990, 42 (04) :2707-2710

[10] META-MAGNETISM IN UCOAL [J].

ERIKSSON, O ;

JOHANSSON, B ;

BROOKS, MSS .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1989, 1 (25) :4005-4011

← 1 2 3 →