Phase stabilities at a glance II: Ternary ordering variants of pyrite and marcasite type structures
Article
Bachhuber, Frederik, Rothballer, Jan, Soehnel, Tilo and Weihrich, Richard (2014) Phase stabilities at a glance II: Ternary ordering variants of pyrite and marcasite type structures. Computational materials science 89, pp. 114-121.Alternative links to fulltext
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Details
| Item type | Article | ||||
| Journal or Publication Title | Computational materials science | ||||
| Publisher | ELSEVIER SCIENCE BV | ||||
| Place of Publication | AMSTERDAM | ||||
| Volume | 89 | ||||
| Page Range | pp. 114-121 | ||||
| Date | 2014 | ||||
| Date of publication | 30 Sep 2014 12:20 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Anorganische Chemie Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich | ||||
| Identification Number |
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| Keywords | INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; CRYSTAL-STRUCTURE; HIGH-PRESSURE; BASIS-SET; ARSENOPYRITE; SEMICONDUCTORS; SCHEMES; SYSTEMS; Pyrite; Marcasite; Stability diagrams; Density functional calculations | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 30772 |
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