STRUCTURAL-PROPERTIES OF FERROMAGNETIC BCC IRON - A FAILURE OF THE LOCAL-SPIN-DENSITY APPROXIMATION

被引:55
作者
JANSEN, HJF [1 ]
HATHAWAY, KB [1 ]
FREEMAN, AJ [1 ]
机构
[1] USN,CTR SURFACE WEAP,SILVER SPRING,MD 20910
来源
PHYSICAL REVIEW B | 1984年 / 30卷 / 10期
关键词
D O I
10.1103/PhysRevB.30.6177
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:6177 / 6179
页数:3
相关论文
共 20 条
[1]   ENERGY-BANDS IN FERROMAGNETIC IRON [J].
CALLAWAY, J ;
WANG, CS .
PHYSICAL REVIEW B, 1977, 16 (05) :2095-2105
[2]   1ST-PRINCIPLES LINEAR COMBINATION OF ATOMIC ORBITALS METHOD FOR THE COHESIVE AND STRUCTURAL-PROPERTIES OF SOLIDS - APPLICATION TO DIAMOND [J].
CHELIKOWSKY, JR ;
LOUIE, SG .
PHYSICAL REVIEW B, 1984, 29 (06) :3470-3481
[3]   METAL-METAL BONDING IN CR-CR AND MO-MO DIMERS - ANOTHER SUCCESS OF LOCAL SPIN-DENSITY THEORY [J].
DELLEY, B ;
FREEMAN, AJ ;
ELLIS, DE .
PHYSICAL REVIEW LETTERS, 1983, 50 (07) :488-491
[4]   DESCRIPTIONS OF EXCHANGE AND CORRELATION EFFECTS IN INHOMOGENEOUS ELECTRON-SYSTEMS [J].
GUNNARSSON, O ;
JONSON, M ;
LUNDQVIST, BI .
PHYSICAL REVIEW B, 1979, 20 (08) :3136-3164
[5]  
HATHAWAY KB, UNPUB
[6]  
Herring C., 1966, MAGNETISM, V4
[7]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[8]   TOTAL-ENERGY FULL-POTENTIAL LINEARIZED AUGMENTED-PLANE-WAVE METHOD FOR BULK SOLIDS - ELECTRONIC AND STRUCTURAL-PROPERTIES OF TUNGSTEN [J].
JANSEN, HJF ;
FREEMAN, AJ .
PHYSICAL REVIEW B, 1984, 30 (02) :561-569
[9]  
JANSEN HJF, 1981, THESIS
[10]   SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].
KOHN, W ;
SHAM, LJ .
PHYSICAL REVIEW, 1965, 140 (4A) :1133-&