A rational approach to IrPTe – DFT and CalPhaD studies on phase stability, formation and structure of IrPTe
Article
Pielnhofer, F.
, Schöneich, Michael, Lorenz, T., Yan, W., Nilges, Tom , Weihrich, Richard and Schmidt, Peer
(2015)
A rational approach to IrPTe – DFT and CalPhaD studies on phase stability, formation and structure of IrPTe.
Z. Anorg. Allg. Chem. 641, pp. 1099-1105.
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| Item type | Article | ||||
| Journal or Publication Title | Z. Anorg. Allg. Chem. | ||||
| Publisher | WILEY-V C H VERLAG GMBH | ||||
| Place of Publication | WEINHEIM | ||||
| Volume | 641 | ||||
| Page Range | pp. 1099-1105 | ||||
| Date | 2015 | ||||
| Date of publication | 29 Jun 2015 12:31 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich | ||||
| Identification Number |
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| Keywords | EFFECTIVE CORE POTENTIALS; CHEMICAL-VAPOR TRANSPORT; CRYSTAL-STRUCTURE; MOLECULAR CALCULATIONS; PHOSPHIDE TELLURIDE; PHOSPHORUS; DIAZENIDES; TI2PTE2; PYRITE; ATOMS; Phase stability; Density functional calculations; Gas balance; Thermodynamic modelling; Structure prediction | ||||
| 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 | 31991 |
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