Lowest-energy structures and electronic properties of Na-Si binary clusters from ab initio global search

Journal of Chemical Physics

Volumn 135, Issue 18, 2011, Pages

  Sai, Linwei ^a   Tang, Lingli ^a   Zhao, Jijun ^a   Wang, Jun ^a   Kumar, Vijay ^b  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b Dr Vijay Kumar Foundation   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ADIABATIC ELECTRON AFFINITY; ANIONIC CLUSTERS; BINARY CLUSTERS; EXPERIMENTAL DATA; FIRST-PRINCIPLES; GLOBAL SEARCH; GROUND-STATE STRUCTURES; LOWEST ENERGY STRUCTURE; NA ATOMS; PHOTOELECTRON SPECTRUM; SI CLUSTERS; SIZE DEPENDENCE; TOTAL ENERGY;

ELECTRONIC PROPERTIES; IONIZATION POTENTIAL; PHOTOELECTRON SPECTROSCOPY; PHOTOIONIZATION; SILICON;

SODIUM;

EID: 81155124988     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3660354     Document Type: Article

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