Browsing by Author "Akgenç, Berna"

Browsing by Author "Akgenç, Berna"

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  • Akgenç, Berna (2010-06)
    Bu çalısmada, yoğunluk fonksiyonu teorisi (DFT) ve dengede olmayan Green fonksiyonları seviyesinde saçılma teorisini esas alan H ve Li zincirleri için elektronik yapı ve iletim hesaplamaları yapılmaktadır. Sonlu sayıda ...
  • Wunderlich, Thomas; Akgenç, Berna; Schwingenschlögl, Udo (2013-09-06)
    We present electronic structure and transport calculations for hydrogen and lithium chains, using density functional theory and scattering theory on the Green’s function level, to systematically study impurity effects on ...
  • Akgenç, Berna; Akdere, Ü.; Günay, S.D; Tasseven, C. (2013)
    Transition to fast-ion conducting phase and liquid phase of SrCl2 was investigated the molecular dynamics simulation in constant pressure-temperature ensemble (NPT) and hypernetted-chain theory using the fully ionic rigid ...
  • Günay, S.D; Akgenç, Berna; Taseven, Ç. (2013)
    α-Pu2O3 is an important material among plutonium based materials in nuclear industry. Pure plutonium surfaces quickly oxidizes into α-Pu2O3 and PuO2 which are in the form of layers one on another [1]. Here we have ...

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