First principles investigation of phase stability in the B-Pt alloy system

Widom, M.

doi:10.1016/j.solidstatesciences.2024.107809

Title: First principles investigation of phase stability in the B-Pt alloy system

Journal Article · 01 February 2025 · Solid State Sciences

DOI: https://doi.org/10.1016/j.solidstatesciences.2024.107809 · OSTI ID:2482561

Widom, M.

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; SC0014506

OSTI ID:: 2482561

Journal Information:: Solid State Sciences, Journal Name: Solid State Sciences Journal Issue: C Vol. 160; ISSN 1293-2558

Publisher:: ElsevierCopyright Statement

Country of Publication:: France

Language:: English

References (18)

The crystal chemistry of platinum metal borides Hassler, Eivind; Lundström, Torsten; Tergenius, Lars-Erik Journal of the Less Common Metals, Vol. 67, Issue 2 https://doi.org/10.1016/0022-5088(79)90042-0	journal	October 1979
Pt–B System Revisited: Pt ₂ B, a New Structure Type of Binary Borides. Ternary WAl ₁₂ -Type Derivative Borides Sologub, Oksana; Salamakha, Leonid; Rogl, Peter Inorganic Chemistry, Vol. 54, Issue 22 https://doi.org/10.1021/acs.inorgchem.5b01998	journal	November 2015
Information Entropy of Liquid Metals Gao, M. C.; Widom, M. The Journal of Physical Chemistry B, Vol. 122, Issue 13 https://doi.org/10.1021/acs.jpcb.7b10723	journal	October 2017
Borides and Silicides of the Platinum Metals Buddery, J. H.; Welch, A. J. E. Nature, Vol. 167, Issue 4244 https://doi.org/10.1038/167362a0	journal	March 1951
Borides and Silicides of the Platinum Metals Aronsson, B.; ÅSelius, J.; Stenberg, E. Nature, Vol. 183, Issue 4671 https://doi.org/10.1038/1831318b0	journal	May 1959
Reaction of Platinum and Boron under Pressure Whitney, E. Dow; Giese, Rossman F. Nature, Vol. 197, Issue 4874 https://doi.org/10.1038/1971293a0	journal	March 1963
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Ab initio calculations of cohesive energies of Fe -based glass-forming alloys Mihalkovič, M.; Widom, M. Physical Review B, Vol. 70, Issue 14 https://doi.org/10.1103/PhysRevB.70.144107	journal	October 2004
Symmetry-broken crystal structure of elemental boron at low temperature Widom, M.; Mihalkovič, M. Physical Review B, Vol. 77, Issue 6 https://doi.org/10.1103/PhysRevB.77.064113	journal	February 2008
Entropy approximations for simple fluids Huang, Yang; Widom, Michael Physical Review E, Vol. 109, Issue 3 https://doi.org/10.1103/PhysRevE.109.034130	journal	March 2024
Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference Jinnouchi, Ryosuke; Lahnsteiner, Jonathan; Karsai, Ferenc Physical Review Letters, Vol. 122, Issue 22 https://doi.org/10.1103/PhysRevLett.122.225701	journal	June 2019
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
On the Crystallization of Simple Rhombohedral Boron from Platinum Horn, F. Hubbard Journal of The Electrochemical Society, Vol. 106, Issue 10 https://doi.org/10.1149/1.2427174	journal	January 1959
First Principles Calculation of the Entropy of Liquid Aluminum Widom, Michael; Gao, Michael Entropy, Vol. 21, Issue 2 https://doi.org/10.3390/e21020131	journal	January 2019
Vibrational Entropy of Crystalline Solids from Covariance of Atomic Displacements Huang, Yang; Widom, Michael Entropy, Vol. 24, Issue 5 https://doi.org/10.3390/e24050618	journal	April 2022
Borides of Rhenium and the Platinum Metals. The Crystal Structure of Re7B3, ReB3, Rh7B3, RhB~1.1, IrB~1.1 and PtB. Aronsson, B.; Stenberg, E.; Åselius, J. Acta Chemica Scandinavica, Vol. 14 https://doi.org/10.3891/acta.chem.scand.14-0733	journal	January 1960

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