The reference vacancy formation energy in a perfect bulk lattice is 3.631 eV.
First, all single-element materials are removed as their formation energy is zero, by definition.
(e) Strain dependence of relative formation energy of SbTe in (Bi0Sb1)2Te3.
Panel (a) displays formation energy as a function of composition x in Na2−xV3O7 (solid circles).
Reich, S., Li, L. & Robertson, J. Structure and formation energy of carbon nanotube caps.
Turchanin, M. A. & Agraval, P. G. Cohesive energy, properties, and formation energy of transition metal alloys.
The formation energy for the actual SOC strength (λ/λ0 = 1) is set to zero.
Higher formation energy also led to more difficult doping.
Agrawal, A., Meredig, B., Wolverton, C. & Choudhary, A. A formation energy predictor for crystalline materials using ensemble data mining.
The Te-rich condition leads to the lower formation energy, meaning more electron-type bulk carries induced by TeBi.
Hence, the decreasing of the formation energy of SbTe is mainly determined by the effect of lattice parameters changes.
