Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon

Hongqun Dong (ORCID 0000-0001-5456-0191), Xiaoma Tao, Mervi Paulasto-Kröckel

Journal of Electronic Materials 50 (8) 4272-4288 (2021) · Springer Science and Business Media LLC

DOI: 10.1007/s11664-021-08861-4

Data: JSON record · id doi:10.1007/s11664-021-08861-4 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 41 released values
• assessment behind a TDB file: GeP-21Don.tdb (Ge–P), SiP-21Don.tdb (P–Si)

Systems

Ge–P, Ge–Si, P–Si, Ge–P–Si

Evidence in ORCHID

41 values read from this paper (34 accepted), from 3 tables and 2 text passages.

ESPEI datasets derived: 2 (dft/literature/GE-P/GeP-21Don.GEP.json …).

Phase-registry phases citing it: phase:ge-p:a4-diamond, phase:ge-p:bcc-a2, phase:ge-p:fcc-a1, phase:ge-p:gep, phase:ge-p:hcp-a3, phase:ge-p:liquid, phase:ge-p:p-red, phase:ge-p:p-white, phase:p-si:a4-diamond, phase:p-si:bcc-a2, phase:p-si:fcc-a1, phase:p-si:gas, phase:p-si:hcp-a3, phase:p-si:liquid, phase:p-si:p-red, phase:p-si:p-white, phase:p-si:sip, phase:p-si:sip2

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): https://creativecommons.org/licenses/by/4.0 (vor). Crossref is-referenced-by count: 6 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (2)

• Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation (2024) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]

References (Crossref, publisher-deposited) (18)

• Beiträge zur systematischen Verwandtschaftslehre. 90. Germaniumphosphid (1939) [crossref_reference_list]
• Thermochemical properties of inorganic substances (1977) [crossref_reference_list]
• Thermodynamic investigation on the si-ge binary system by calorimetry and knudsen cell mass spectrometry (1992) [crossref_reference_list]
• The Ge−Si (Germanium-Silicon) system (1984) [crossref_reference_list]
• The P−Si (Phosphorus-Silicon) system (1985) [crossref_reference_list]
• The Ge−P (Germanium-Phosphorus) system (1985) [crossref_reference_list]
• Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System (2013) [crossref_reference_list]
• Thermodynamic Calculations for the Dephosphorization of Silicon Using Molten Slag (2012) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• AFLOW: An automatic framework for high-throughput materials discovery (2012) [crossref_reference_list]
• GeP and (Ge1−Sn )(P1−Ge ) (x≈0.12, y≈0.05): Synthesis, structure, and properties of two-dimensional layered tetrel phosphides (2015) [crossref_reference_list]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) [crossref_reference_list]
• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) [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]
• Analysis of thermodynamic properties and phase equilibria in the Si-P system (2011) [crossref_reference_list]
• Phase diagram study of the Si–P system in Si-rich region (2011) [crossref_reference_list]
• The Crystal Structures of SiP2, SiAs2, and GeP. (1967) [crossref_reference_list]

Cites (values carry this citation) (7)

• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) — 5 values [orchid_extraction]
• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) — 5 values [orchid_extraction]
• GeP and (Ge1−Sn )(P1−Ge ) (x≈0.12, y≈0.05): Synthesis, structure, and properties of two-dimensional layered tetrel phosphides (2015) — 3 values [orchid_extraction]
• The Crystal Structures of SiP2, SiAs2, and GeP. (1967) — 3 values [orchid_extraction]
• Thermochemical properties of inorganic substances (1977) — 2 values [orchid_extraction]
• AFLOW: An automatic framework for high-throughput materials discovery (2012) — 2 values [orchid_extraction]
• Beiträge zur systematischen Verwandtschaftslehre. 90. Germaniumphosphid (1939) — 1 values [orchid_extraction]

TDB files modelling its system (3)

• tdb:GeP-21Don.tdb [sgte_tdb_header]
• tdb:GeP-21Don.tdb [orchid_literature_model_link]
• tdb:SiP-21Don.tdb [sgte_tdb_header]

Reassessed by (1)

• Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation (2024) [citation+same-system]

Reassesses (cites an earlier assessment of the same system) (1)

• Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System (2013) [citation+same-system]

Data papers used (7)

• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) — 5 values [orchid_extraction]
• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) — 5 values [orchid_extraction]
• GeP and (Ge1−Sn )(P1−Ge ) (x≈0.12, y≈0.05): Synthesis, structure, and properties of two-dimensional layered tetrel phosphides (2015) — 3 values [orchid_extraction]
• The Crystal Structures of SiP2, SiAs2, and GeP. (1967) — 3 values [orchid_extraction]
• Thermochemical properties of inorganic substances (1977) — 2 values [orchid_extraction]
• AFLOW: An automatic framework for high-throughput materials discovery (2012) — 2 values [orchid_extraction]
• Beiträge zur systematischen Verwandtschaftslehre. 90. Germaniumphosphid (1939) — 1 values [orchid_extraction]