Articles with public access mandates - Jeff W. DoakLearn more
Not available anywhere: 1
Using first-principles calculations in CALPHAD models to determine carrier concentration of the binary PbSe semiconductor
MC Peters, JW Doak, JE Saal, GB Olson, PW Voorhees
Journal of Electronic Materials 48, 1031-1043, 2019
Mandates: US Department of Defense
Available somewhere: 10
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
S Kirklin, JE Saal, B Meredig, A Thompson, JW Doak, M Aykol, S Rühl, ...
npj Computational Materials 1 (1), 1-15, 2015
Mandates: US Department of Energy
Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe
G Tan, F Shi, JW Doak, H Sun, LD Zhao, P Wang, C Uher, C Wolverton, ...
Energy & Environmental Science 8 (1), 267-277, 2015
Mandates: US Department of Energy
Prediction of seebeck coefficient for compounds without restriction to fixed stoichiometry: A machine learning approach
A Furmanchuk, JE Saal, JW Doak, GB Olson, A Choudhary, A Agrawal
Journal of computational chemistry 39 (4), 191-202, 2018
Mandates: US National Science Foundation, US Department of Energy, US Department of …
Ab initio study of intrinsic point defects in PbTe: an insight into phase stability
S Bajaj, GS Pomrehn, JW Doak, W Gierlotka, H Wu, SW Chen, ...
Acta Materialia 92, 72-80, 2015
Mandates: US Department of Energy
Determining dilute-limit solvus boundaries in multi-component systems using defect energetics: Na in PbTe and PbS
JW Doak, KJ Michel, C Wolverton
Journal of Materials Chemistry C 3 (40), 10630-10649, 2015
Mandates: US Department of Energy
Phosphorus allotropes: Stability of black versus red phosphorus re-examined by means of the van der Waals inclusive density functional method
M Aykol, JW Doak, C Wolverton
Physical Review B 95 (21), 214115, 2017
Mandates: US Department of Energy
Vibrational contributions to the phase stability of PbS-PbTe alloys
JW Doak, C Wolverton, V Ozoliņš
Physical Review B 92 (17), 174306, 2015
Mandates: US Department of Energy
Calculation of dopant solubilities and phase diagrams of X–Pb–Se (X= Br, Na) limited to defects with localized charge
S Bajaj, H Wang, JW Doak, C Wolverton, GJ Snyder
Journal of Materials Chemistry C 4 (9), 1769-1775, 2016
Mandates: US Department of Energy
Thermodynamic modeling of the PbX (X= S, Te) phase diagram using a five sub-lattice and two sub-lattice model
MC Peters, JW Doak, WW Zhang, JE Saal, GB Olson, PW Voorhees
Calphad 58, 17-24, 2017
Mandates: US Department of Defense
Computational prediction of nanostructured alloys with enhanced thermoelectric properties
JW Doak, S Hao, S Kirklin, C Wolverton
Physical Review Materials 3 (10), 105404, 2019
Mandates: US Department of Energy
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