Evolutionary search for new high-k dielectric materials: Methodology and applications to hafnia-based oxides

Acta Crystallographica Section C: Structural Chemistry

Volumn 70, Issue 2, 2014, Pages 76-84

  Zeng, Qingfeng ^a   Oganov, Artem R ^a,b,c   Lyakhov, Andriy O ^b   Xie, Congwei ^a   Zhang, Xiaodong ^a,e   Zhang, Jin ^a   Zhu, Qiang ^b   Wei, Bingqing ^d,f   Grigorenko, Ilya ^g   Zhang, Litong ^a   Cheng, Laifei ^a  

^a NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

^b STONY BROOK UNIVERSITY   (United States)

^c MOSCOW INSTITUTE OF PHYSICS AND TECHNOLOGY   (Russian Federation)

^d NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

^e NORTHWEST UNIVERSITY   (China)

^f UNIVERSITY OF DELAWARE   (United States)

^g NEW YORK CITY COLLEGE OF TECHNOLOGY   (United States)

Author keywords

computational materials discovery; dielectric materials; hafnia based oxides

Indexed keywords

CALCULATIONS; EVOLUTIONARY ALGORITHMS; GLOBAL OPTIMIZATION; HAFNIUM OXIDES; HEALTH; MICROELECTRONICS; SILICA;

COMPUTATIONAL MATERIALS; COORDINATION POLYHEDRA; DEGREE OF DISTORTION; ENERGY STORAGE DENSITY; EVOLUTIONARY SEARCH; FIRST-PRINCIPLES CALCULATION; HIGH-K DIELECTRIC MATERIALS; INTRINSIC BREAKDOWN;

DIELECTRIC MATERIALS;

EID: 84904764903     PISSN: None     EISSN: 20532296     Source Type: Journal    
DOI: 10.1107/S2053229613027861     Document Type: Article

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