First-principles simulations of interstitial atoms in ionic solids

Materials Research Society Symposium - Proceedings

Volumn 408, Issue , 1996, Pages 509-514

  Kotomin, E A ^a   Svane, A ^a   Brudevoll, T ^a   Schulz, W ^a   Christensen, N E ^a  

^a AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CALCULATIONS; COMPUTER SIMULATION; DIFFUSION IN SOLIDS; ELECTRONIC STRUCTURE; FREQUENCIES; MAGNESIA; MOLECULAR VIBRATIONS; PHASE EQUILIBRIA; POTASSIUM COMPOUNDS; RAMAN SPECTROSCOPY;

FIRST PRINCIPLE SIMULATIONS; INTERSTITIAL ATOMS; IONIC SOLIDS; LATTICE SITE; REGULAR ANION SITE;

CRYSTAL ATOMIC STRUCTURE;

EID: 0030315208     PISSN: 02729172     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (16)