Electronic structure and chemical bonding of Zr substitution of Ti site on Pb(Zr1-xTix)O3 using DV-Xα method

Integrated Ferroelectrics

Volumn 64, Issue , 2004, Pages 297-303

  Yun, Seok Kim ^a   Yang, Soo Kim ^a   Sungkwan, Kim ^a   Kwangsoo, No ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

Chemical bonding; DV X ; Electronic state; Fatigue; PZT

Indexed keywords

CHEMICAL BONDS; ELECTRONIC STRUCTURE; ENERGY GAP; FATIGUE OF MATERIALS; ZIRCONIUM COMPOUNDS;

CLUSTER METHOD; OVERLAP POPULATION; SUBSTITUTED ZR ATOMS;

SUBSTITUTION REACTIONS;

EID: 33751198299     PISSN: 10584587     EISSN: 16078489     Source Type: Conference Proceeding    
DOI: 10.1080/10584580490894843     Document Type: Article

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