First-principles calculations of structural energetics of Cu–TM (TM=Ti, Zr, Hf) intermetallics

G. Ghosh

Acta Materialia 55 (10) 3347-3374 (2007) · Elsevier BV

DOI: 10.1016/j.actamat.2007.01.037

Data: JSON record · id doi:10.1016/j.actamat.2007.01.037 · metadata: crossref

Roles in ORCHID

• cited as the original source of values

Systems

Cu–Hf

Evidence in ORCHID

5 values in 1 other papers cite this work as their source.

Phase-registry phases citing it: phase:cu-hf:cu10hf7, phase:cu-hf:cu51hf14, phase:cu-hf:cu5hf-c15b, phase:cu-hf:cu8hf3, phase:cu-hf:cuhf2

Availability

Read by ORCHID: no (full_text_screened_for_origin). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 132 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (11)

• Experimental Investigation and Thermodynamic Description of the Cu-Zr System (2017) [crossref_reference_list]
• Experimental Investigation of Phase Equilibria in the Cu-Co-Zr System (2017) [crossref_reference_list]
• Experimental and computational studies of the Cu–Hf binary system (2013) [crossref_reference_list]
• Experimental investigation and thermodynamic assessment of the Cu–Sn–Ti ternary system (2011) [crossref_reference_list]
• First-principles calculations of binary Al compounds: Enthalpies of formation and elastic properties (2011) [crossref_reference_list]
• Phase equilibria and thermodynamic re-assessment of the Cu–Ti system (2023) [crossref_reference_list]
• First-principles studies on structural, mechanical, thermodynamic and electronic properties of Ni–Zr intermetallic compounds (2014) [crossref_reference_list]
• The phase equilibria of the Cu–Zr–V system supported by experiments and CALPHAD method (2025) [crossref_reference_list]
• First-principles study on the structural, mechanical and thermodynamic properties of Cu-Cr-Zr alloy (2024) [crossref_reference_list]
• First-principles Calculation Assisted Thermodynamic Modeling of Ti-Co-Cu Ternary System (2010) [crossref_reference_list]
• Cu-Sn-Ti Ternary Phase Diagram Evaluation (2022) [crossref_reference_list]

References (Crossref, publisher-deposited) (28)

• The structure of the β-phase in dilute copper–titanium alloys (1979) [crossref_reference_list]
• Partial phase diagrams of the titanium-rich region of the Ti-Cu system under high pressure (1994) [crossref_reference_list]
• Constitutional and structural studies of the intermetallic phase, ZrCu (1980) [crossref_reference_list]
• Phase diagram of the system titanium-copper (1966) [crossref_reference_list]
• Structure and phase composition of the Ti-Cu diffusion zone (1996) [crossref_reference_list]
• A new thermodynamic description of the Cu-Zr system (1994) [crossref_reference_list]
• Thermochemistry of alloys of transition metals: Part III. Copper-Silver, -Titanium, Zirconium, and -Hafnium at 1373 K (1982) [crossref_reference_list]
• The Cu-Hf (copper-hafnium) system (1988) [crossref_reference_list]
• Cu-Zr (Copper-Zirconium) (1990) [crossref_reference_list]
• Crystallographic data for intermediate phases in the copper-zirconium and copper-hafnium systems (1975) [crossref_reference_list]
• Etudes structurales et physiques d'alliages riches en cuivre dans le systeme CuZr (1985) [crossref_reference_list]
• Coupled phase diagrams and thermochemical data for transition metal binary systems-III (1978) [crossref_reference_list]
• Phase diagram calculations for eight glass forming alloy systems (1985) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• A combined CALPHAD/first-principles remodeling of the thermodynamics of Al–Sr: unsuspected ground state energies by “rounding up the (un)usual suspects” (2004) [crossref_reference_list]
• First-principles calculation of structural energetics of Al–TM (TM=Ti, Zr, Hf) intermetallics (2005) [crossref_reference_list]
• Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) [crossref_reference_list]
• The thermodynamic re-assessment of the Cu–Zr system (2006) [crossref_reference_list]
• Reevaluation of the Cu–Hf binary system (2006) [crossref_reference_list]
• Thermodynamics of the Cr-Ta-W system by combining the Ab Initio and CALPHAD methods (2001) [crossref_reference_list]
• Phase stability of the Hf-Nb system: From first-principles to CALPHAD (2002) [crossref_reference_list]
• Enthalpies of formation of Ti-Cu intermetallic and amorphous phases (1997) [crossref_reference_list]
• Single-Crystal Elastic Moduli and the hcp → bcc Transformation in Ti, Zr, and Hf (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]
• Zr₁₄Cu₅₁ and Hf₁₄Cu₅₁ with GdAg_3.6 structure type (1975) [crossref_reference_list]
• Thermodynamics and kinetics of stable and metastable phases in the Ni–Zr system (1994) [crossref_reference_list]

Cited for values by (1)

• Experimental and computational studies of the Cu–Hf binary system (2013) — 5 values [orchid_extraction]

Used in (assessments / papers that took values from it) (1)

• Experimental and computational studies of the Cu–Hf binary system (2013) — 5 values [orchid_extraction]