2023
DOI: 10.1016/j.jnucmat.2023.154552
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The formation and migration of point defects and the thermodynamic behavior of TiD2 by first-principles calculations

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“…To describe the binding energy between multiple elements, the expression E b (S Fe−A IA − X n ) is introduced. Using this expression, the binding energy of SIA to impurity atoms can be written as follows [2,24]:…”
Section: Energy Calculationmentioning
confidence: 99%
“…To describe the binding energy between multiple elements, the expression E b (S Fe−A IA − X n ) is introduced. Using this expression, the binding energy of SIA to impurity atoms can be written as follows [2,24]:…”
Section: Energy Calculationmentioning
confidence: 99%