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The structural, elastic, electronic, thermodynamic and vibrational properties of protactinium monocarbide (pac) from first-principles calculations
Çiftçi, Yasemin Öztekin; Çoban, Cansu; Aydın, Sezgin; Tatar, Aynur; Evecen, Meryem (Amer Scientific Publishers, 2016)The structural, elastic, electronic, thermodynamic, and vibrational properties of protactinium monocarbide (PaC), which crystallizes in NaCl-type phase (B1), were studied by performing ab-initio calculations based on density ...