Ab initio study of intrinsic point defects in PbTe: an insight into phase stability
Saurabh Bajaj, Gregory S. Pomrehn, Jeff W. Doak, Wojciech Gierlotka, Hsin-jay Wu, Sinn-Wen Chen, Chris Wolverton, William A. Goddard, G. Jeffrey Snyder
Acta Materialia 92 72-80 (2015) · Elsevier BV
DOI: 10.1016/j.actamat.2015.03.034
Data: JSON record · id doi:10.1016/j.actamat.2015.03.034 · metadata: crossref
Roles in ORCHID
- read by ORCHID (values extracted): 12 released values
- assessment behind a TDB file: PbTe-15Baj.tdb (Pb–Te)
Systems
Evidence in ORCHID
12 values read from this paper (12 accepted), from 1 tables and 0 text passages.
| dft | 12 |
| formation | 12 |
Phase-registry phases citing it: phase:pb-te:a8-hexagonal, phase:pb-te:bcc-a2, phase:pb-te:fcc-a1, phase:pb-te:hcp-a3, phase:pb-te:liquid, phase:pb-te:pbte-b1
Availability
Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 62 (retrieved 2026-10-23).
Relations
Cited by (Crossref reference lists) (1)
- The SGTE collection of binary datasets (2025) [crossref_reference_list]
References (Crossref, publisher-deposited) (10)
- Thermodynamic Description of the Ag-Pb-Te Ternary System (2010) [crossref_reference_list]
- Optimization and calculation of the PB — TE system (1986) [crossref_reference_list]
- SGTE data for pure elements (1991) [crossref_reference_list]
- Thermodynamic description of the Pb–Te system using ionic liquid model (2009) [crossref_reference_list]
- The U–Ti system: Strengths and weaknesses of the CALPHAD method (2011) [crossref_reference_list]
- Thermodynamic Properties of Solid Monoxides, Monosulfides, Monoselenides, and Monotellurides of Ge, Sn, and Pb. (1964) [crossref_reference_list]
- Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
- Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
- From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
- Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
TDB files modelling its system (1)
tdb:PbTe-15Baj.tdb[sgte_tdb_header]
Reassesses (cites an earlier assessment of the same system) (3)
- Thermodynamic Description of the Ag-Pb-Te Ternary System (2010) [citation+same-system]
- Optimization and calculation of the PB — TE system (1986) [citation+same-system]
- Thermodynamic description of the Pb–Te system using ionic liquid model (2009) [citation+same-system]