A valence balanced rule for discovery of 18-electron half-Heuslers with defects-Reference-Cited by-同舟云学术

A valence balanced rule for discovery of 18-electron half-Heuslers with defects

Published:2018 Issue:6 Volume:11 Page:1480-1488
ISSN:1754-5692
Container-title:Energy & Environmental Science
language:en
Short-container-title:Energy Environ. Sci.

Author:

Anand Shashwat¹²³⁴^ORCID,Xia Kaiyang⁵⁶⁷⁸,I. Hegde Vinay¹²³⁴,Aydemir Umut¹²³⁴⁹,Kocevski Vancho¹²³⁴^ORCID,Zhu Tiejun⁵⁶⁷⁸¹⁰^ORCID,Wolverton Chris¹²³⁴,Snyder G. Jeffrey¹²³⁴^ORCID

Affiliation:

1. Department of Materials Science and Engineering

2. Northwestern University

3. Evanston

4. USA

5. State Key Laboratory of Silicon Materials and School of Materials Science and Engineering

6. Zhejiang University

7. Hangzhou 310027

8. China

9. Department of Chemistry

10. Key Laboratory of Advanced Materials and Applications for Batteries of Zhejiang Province

Abstract

Thermodynamically stable ground state half-Heusler structures are valence balanced irrespective of electron count or stoichiometry.

Funder

Basic Energy Sciences

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Nuclear Energy and Engineering,Renewable Energy, Sustainability and the Environment,Environmental Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/EE/C8EE00306H

Reference57 articles.

1. Simple rules for the understanding of Heusler compounds

2. Half-Heusler ternary compounds as new multifunctional experimental platforms for topological quantum phenomena

3. Tunable multifunctional topological insulators in ternary Heusler compounds

4. False-positive and false-negative assignments of topological insulators in density functional theory and hybrids

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