High-throughput first-principles calculations as a powerful guiding tool for materials engineering: Case study of the AB2X4 (A = Be, Mg, Ca, Sr, ba; B = Al, Ga, in; X = O, S) spinel compounds

High-throughput first-principles calculations as a powerful guiding tool for materials engineering: Case study of the AB2X4 (A = Be, Mg, Ca, Sr, ba; B = Al, Ga, in; X = O, S) spinel compounds

Modern methods of theoretical and experimental materials engineering can be greatly facilitated by reliably established guiding trends that set directions for a smart search for new materials with enhanced performance. Those trends can be derived from a thorough analysis of large arrays of the exper...

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Bibliographic Details
Main Authors: Y. Wang, W.-B. Chen, F.-Y. Liu, D.-W. Yang, Y. Tian, C.-G. Ma, M.D. Dramićanin, M.G. Brik
Format: Article
Language:English
Published: Elsevier 2019-06-01
Series:Results in Physics
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379719305327

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