Konu "DFT" için Meslek Yüksekokulları listeleme
Toplam kayıt 3, listelenen: 1-3
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Computational investigations of mechanic, electronic and lattice dynamic properties of yttrium based compounds
(World Scientific Publ Co Pte Ltd, 2018)Electronic, mechanic and lattice dynamic properties of yttrium-based compounds, X3Y, where X = Pd, Pt and Rh were investigated using the density functional theory. The electronic band calculations demonstrated that X3Y ... -
Electronic, Elastic, Vibrational and Thermodynamic Properties of HfIrX (X = As, Sb and Bi) Compounds: Insights from DFT-Based Computer Simulation
(SPRINGER, 2020)Ab-initio calculations were performed to reveal and thoroughly understand the structural, electronic, elastic, thermodynamic and vibrational properties of HfIrX (X = As, Sb and Bi) compounds in the C1(b) phase. Basic ... -
Investigation of the Mechanical, Electronic and Phonon Properties of X2ScAl (X = Ir, Os, and Pt) Heusler Compounds
(KOREAN PHYSICAL SOC, 2020)In the present study, the second-order elastic constants and the electronic band structures of the X2ScAl (x= Ir, Os, and Pt) compounds crystallized in the L2(1)phase were calculated separately by using theab-initiodensity ...