نتایج جستجو برای: initio calculation

تعداد نتایج: 116918  

Journal: :e-Journal of Surface Science and Nanotechnology 2007

2012
Michael H. Palmer

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

Journal: :Revista Mexicana De Fisica 2021

In this theoretical study, we presents for the first time, to best of our knowledge, structural, electronic and elastic properties perovskite Sr0.5Be0.5TiO3 type structure (Tetragonal), P4/mmm, space group, 123.using full potential linearized augmented plane wave (FP-LAPW) method on basis density functional theory (DFT) integrated in Wien2k code . The generalized gradient approximation (GGA-PBE...

Journal: :Cognizance journal 2023

Silicon is one of the most famous elements in semiconductor technology, which used solar cells, IC, diodes, transistors etc. has different crystals and amorphous structures, while electronic structures crystalline are calculated, with experimental computational methods. These crystallines made from same element but have properties. As Fd3m Fm3m similar Si crystal structure, In this work, we cal...

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