Structures and melting of AgN (N = 7, 12-14) clusters

被引:9
作者
Atis, M [1 ]
Aktas, H
Güvenç, ZB
机构
[1] Kirikkale Univ, Dept Phys, TR-71451 Yahsihan, Kirikkale, Turkey
[2] Cankaya Univ, Dept Elect & Commun Engn, TR-06530 Ankara, Turkey
关键词
D O I
10.1088/0965-0393/13/8/015
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We have studied the most stable structures of Ag-N (N = 7, 12, 13, 14) clusters and investigated their binding energies and melting behaviours using molecular dynamics and thermal quenching methods based on the Voter-Chen version of the embedded atom method. The melting like transition is described in terms of atom resolved root-mean-square bond length fluctuations, specific heats, coordination numbers and short-time averaged temperatures. Some of these diagnostic tools are also used for the overall behaviour of the clusters. The results are compared with the relevant literature.
引用
收藏
页码:1411 / 1432
页数:22
相关论文
共 30 条
[1]   Freezing of silver nanodroplets [J].
Baletto, F ;
Mottet, C ;
Ferrando, R .
CHEMICAL PHYSICS LETTERS, 2002, 354 (1-2) :82-87
[2]   Non-crystalline structures in the growth of silver nanoclusters [J].
Baletto, F ;
Mottet, C ;
Ferrando, R .
EUROPEAN PHYSICAL JOURNAL D, 2001, 16 (1-3) :25-28
[3]   EFFECTIVE CORE POTENTIAL-CONFIGURATION INTERACTION STUDY OF ELECTRONIC-STRUCTURE AND GEOMETRY OF SMALL NEUTRAL AND CATIONIC AGN CLUSTERS - PREDICTIONS AND INTERPRETATION OF MEASURED PROPERTIES [J].
BONACICKOUTECKY, V ;
CESPIVA, L ;
FANTUCCI, P ;
KOUTECKY, J .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (10) :7981-7994
[4]  
BOSNICK KA, 1999, J CHEM PHYS, V111, P19
[5]   Global minima for transition metal clusters described by Sutton-Chen potentials [J].
Doye, JPK ;
Wales, DJ .
NEW JOURNAL OF CHEMISTRY, 1998, 22 (07) :733-744
[6]  
FOILES SM, 1986, PHYS REV B, V33, P7983, DOI 10.1103/PhysRevB.33.7983
[7]   Theoretical study of the structure of silver clusters [J].
Fournier, R .
JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (05) :2165-2177
[8]   MOLECULAR-DYNAMICS STUDY OF THE STRUCTURES, BINDING-ENERGIES, AND MELTING OF CLUSTERS OF FCC TRANSITION AND NOBLE-METALS USING THE VOTER AND CHEN VERSION OF THE EMBEDDED-ATOM MODEL [J].
GARCIARODEJA, J ;
REY, C ;
GALLEGO, LJ ;
ALONSO, JA .
PHYSICAL REVIEW B, 1994, 49 (12) :8495-8498
[9]   (110) SURFACE STABILITY IN NOBLE-METALS [J].
GUILLOPE, M ;
LEGRAND, B .
SURFACE SCIENCE, 1989, 215 (03) :577-595
[10]  
GUVENC ZB, 1992, NATO ADV SCI I C-MAT, V374, P411