First-principles calculations for work function and surface energy of thin lithium films

Surface Science

Volumn 348, Issue 1-2, 1996, Pages 168-174

  Kokko, K ^a   Salo, P T ^a   Laihia, R ^a   Mansikka, K ^a  

^a UNIVERSITY OF TURKU   (Finland)

Author keywords

Alkali metals; Computer simulations; Density functional calculations; Low index single crystal surfaces; Molecular dynamics; Surface electronic phenomena; Surface energy; Surface relaxation and reconstruction

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; INTERFACIAL ENERGY; MOLECULAR DYNAMICS; RELAXATION PROCESSES; SURFACE PHENOMENA; SURFACE STRUCTURE; THIN FILMS;

DENSITY FUNCTIONAL CALCULATIONS; ELECTRONIC WORK FUNCTION; FIRST PRINCIPLES MOLECULAR DYNAMICS; LOW INDEX SINGLE CRYSTAL SURFACES; SURFACE ORIENTATION; SURFACE RECONSTRUCTION; SURFACE RELAXATION;

LITHIUM;

EID: 0030105945     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(95)01029-7     Document Type: Article

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