Konu "Ab-Initio Calculations" için listeleme

Toplam kayıt 2, listelenen: 1-2

First-Principles Study on the Structural, Elastic, Electronic and Vibrational Properties of Scandium Based Intermetalic Compounds (ScX, X = Co, Rh and Ir) Under Pressure

Evecen, Meryem; Ciftci, Yasemin Oztekin (AMER SCIENTIFIC PUBLISHERS, 2017)

The structural, electronic, mechanic and vibrational properties of B2-type scandium intermetallic compounds, ScCo, ScRh and ScIr, are studied by performing ab-initio density functional theory using the Vienna Ab initio ...
The Structural, Elastic, Electronic, Thermodynamic and Vibrational Properties of Protactinium Monocarbide (PaC) from First-Principles Calculations

Ciftci, Y. O.; Coban, C.; Aydin, S.; Tatar, A.; Evecen, M. (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 ...