REEXAMINATION OF THE FE(001)1X1-O STRUCTURE

被引:25
作者
JONA, F [1 ]
MARCUS, PM [1 ]
机构
[1] IBM CORP,RES CTR,YORKTOWN HTS,NY 10598
关键词
points of as much as 0.5 eV. The unique detachedn a-ture of the structure; l eaving a 5-layer central slab; points to a differencefr om the successfual dsorbatcea l-culations. In addition to testingt he thicknessd epend-ence of their result; CP would do well to test their calculationa gainstt he relaxationo f the clean Fe{001} surfacew; hichhas recentlyb eend eterminetdo be a 5% contractiono f the first spacinga nd a 5% expansiono f the seconds pacing [17]. FJ. is indebtedto the NationalS cienceF oundation for partial support of this work with Grant No. DMR8301165A01;
D O I
10.1016/0038-1098(87)90675-2
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
17
引用
收藏
页码:667 / 671
页数:5
相关论文
共 19 条
[1]   1ST PRINCIPLES DETERMINATION OF THE MAGNETIC-STRUCTURE OF P(1X1) O/FE(001) [J].
CHUBB, SR ;
PICKETT, WE .
SOLID STATE COMMUNICATIONS, 1987, 62 (01) :19-22
[2]  
CHUBB SR, 1987, PHYS REV LETT, V12, P1246
[3]  
CHUBB SR, 1987, B AM PHYS SOC, V32, P584
[4]  
CHUBB SR, 1985, B AM PHYS SOC, V30, P599
[5]  
CHUBB SR, COMMUNICATION
[6]   INVESTIGATION OF MULTILAYER RELAXATION ON AL(110) WITH THE USE OF SELF-CONSISTENT TOTAL-ENERGY CALCULATIONS [J].
HO, KM ;
BOHNEN, KP .
PHYSICAL REVIEW B, 1985, 32 (06) :3446-3450
[7]   ATOMIC-STRUCTURE OF AN IMPURITY-STABILIZED SI[111] SURFACE - REFINEMENT USING A COMBINED-LAYER METHOD [J].
JEPSEN, DW ;
SHIH, HD ;
JONA, F ;
MARCUS, PM .
PHYSICAL REVIEW B, 1980, 22 (02) :814-824
[8]   LOW-ENERGY ELECTRON-DIFFRACTION ANALYSIS OF CLEAN FE(001) [J].
LEGG, KO ;
JONA, F ;
JEPSEN, DW ;
MARCUS, PM .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (07) :937-946
[9]   EARLY STAGES OF OXIDATION OF FE(001) SURFACE - ATOMIC-STRUCTURE OF FIRST MONOLAYER [J].
LEGG, KO ;
JONA, F ;
JEPSEN, DW ;
MARCUS, PM .
PHYSICAL REVIEW B, 1977, 16 (12) :5271-5276
[10]  
MORUZZI VL, 1978, CALCULATED ELECTRONI