Effect of pressure on structural, electronic and elastic properties of cubic (Pm3m) SnTiO 3 using first principle calculation

Advanced Materials Research

Volumn 501, Issue , 2012, Pages 342-346

  Taib, M F M ^a   Yaakob, M K ^a   Chandra, Amreesh ^b   Arof, A K ^c   Yahya, M Z A ^a,d  

^a UNIVERSITI TEKNOLOGI MARA   (Malaysia)

^b INDIAN INSTITUTE OF TECHNOLOGY   (India)

^c UNIVERSITY OF MALAYA   (Malaysia)

^d NATIONAL DEFENCE UNIVERSITY OF MALAYSIA   (Malaysia)

Author keywords

Band structure; Density functional theory; Elastic constant; LDA

Indexed keywords

CUBIC PHASE; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY OF STATE; EFFECT OF PRESSURE; ELASTIC PROPERTIES; ELECTRONIC BAND STRUCTURE; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES CALCULATION; INDIRECT BAND GAP; LDA; LEAD-FREE; PEROVSKITE OXIDES; PRESSURE DEPENDENCE;

BAND STRUCTURE; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTICITY; ENERGY GAP; LEAD OXIDE; PEROVSKITE; TECHNOLOGY;

LOCAL DENSITY APPROXIMATION;

EID: 84860779635     PISSN: 10226680     EISSN: None     Source Type: Book Series    
DOI: 10.4028/www.scientific.net/AMR.501.342     Document Type: Conference Paper

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