SPIN EFFECTS IN SMALL SODIUM CLUSTERS

被引:19
作者
KOHL, C
MONTAG, B
REINHARD, PG
机构
[1] Institut für Theoretische Physik, Universität Erlangen, Erlangen
来源
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1995年 / 35卷 / 01期
关键词
D O I
10.1007/BF01439983
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
We present results on ground state properties for Na clusters with N = 2 - 20 electrons using a jellium model with fully triaxial shapes and employing the spin degree-of-freedom for the electrons. The proper treatment of spin turns out to be crucial for the description of ionization potentials in this range of cluster sizes. Spontaneous spin polarization is observed in some triaxially soft, even clusters.
引用
收藏
页码:57 / 65
页数:9
相关论文
共 34 条
[1]   COMPRESSIBILITY AND BINDING ENERGY OF SIMPLE METALS [J].
ASHCROFT, NW ;
LANGRETH, DC .
PHYSICAL REVIEW, 1967, 155 (03) :682-&
[2]   SELF-CONSISTENT CALCULATION OF THE ELECTRONIC-STRUCTURE OF SMALL JELLIUM SPHERES [J].
BECK, DE .
SOLID STATE COMMUNICATIONS, 1984, 49 (04) :381-385
[3]   COMPARISON OF COORDINATE-SPACE TECHNIQUES IN NUCLEAR MEAN-FIELD CALCULATIONS [J].
BLUM, V ;
LAURITSCH, G ;
MARUHN, JA ;
REINHARD, PG .
JOURNAL OF COMPUTATIONAL PHYSICS, 1992, 100 (02) :364-376
[4]   QUANTUM-CHEMISTRY OF SMALL CLUSTERS OF ELEMENTS OF GROUP-IA, GROUP-IB, AND GROUP-IIA - FUNDAMENTAL-CONCEPTS, PREDICTIONS, AND INTERPRETATION OF EXPERIMENTS [J].
BONACICKOUTECKY, V ;
FANTUCCI, P ;
KOUTECKY, J .
CHEMICAL REVIEWS, 1991, 91 (05) :1035-1108
[5]   PLASMA EXCITATIONS IN CHARGED SODIUM CLUSTERS [J].
BORGGREEN, J ;
CHOWDHURY, P ;
KEBAILI, N ;
LUNDSBERGNIELSEN, L ;
LUTZENKIRCHEN, K ;
NIELSEN, MB ;
PEDERSEN, J ;
RASMUSSEN, HD .
PHYSICAL REVIEW B, 1993, 48 (23) :17507-17516
[6]   THE PHYSICS OF SIMPLE METAL-CLUSTERS - SELF-CONSISTENT JELLIUM MODEL AND SEMICLASSICAL APPROACHES [J].
BRACK, M .
REVIEWS OF MODERN PHYSICS, 1993, 65 (03) :677-732
[7]   MULTIPOLE VIBRATIONS OF SMALL ALKALI-METAL SPHERES IN A SEMICLASSICAL DESCRIPTION [J].
BRACK, M .
PHYSICAL REVIEW B, 1989, 39 (06) :3533-3542
[8]   THE PHYSICS OF SIMPLE METAL-CLUSTERS - EXPERIMENTAL ASPECTS AND SIMPLE-MODELS [J].
DEHEER, WA .
REVIEWS OF MODERN PHYSICS, 1993, 65 (03) :611-676
[10]  
EKARDT W, 1990, Z PHYS D, V17, P69