Browsing by Subject "electronic properties"

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L-Asparaginyum Pikrat Molekülünün Spektroskopik Özelliklerinin Teorik Olarak İncelenmesi

Günay, Nergin; Pir, Hacer; Atalay, Yusuf (Sakarya Üniversitesi Fen Edebiyat Fakültesi, 2011)

Bu çalışmada, L-Asparaginyum pikrat (LASP) molekülünün geometrik parametreleri (bağ uzunlukları ve bağ açıları), harmonik titreşim dalgasayıları, en yüksek dolu moleküler orbital (HOMO) ve en düşük boş moleküler orbitallerin ...
Structural, Electronic, Elastic and Magnetic Properties of Ln(3)QIn (Ln = Ce, Pr and Nd; Q = C and N) anti-perovskites

Alwadai, Norah; Mehmood, Shahid; Ali, Zahid; Al-Buriahi, M. S.; Alomairy, Sultan; Khosa, Rabia Yasmin; Alrowaili, Z. A.; Somaily, H. H.; Aman, Salma (2022)

Structural, electronic, elastic and magnetic properties of Ln(3)QIn (Ln = Ce, Pr and Nd; Q = C and N) anti-perovskites were studied using density functional theory. The measured structural parameters were much reliable ...
The Influence of Spin-Orbit Interaction on the Electron-Phonon Coupling in Tl-Rich Cubic AuCu3-Type Superconductors: Comparison with La3Tl

Bagci, Sadik; Yarar, Halime; Uzunok, Huseyin Yasin (WILEY-V C H VERLAG GMBH, 2023)

In this work, the role of spin-orbit coupling (SOC) in ATl(3) (A = Ca, Y, La, and Th) and La3Tl is investigated by theoretical investigation of their structural, electronic, elastic, mechanical, phonon, and electron-phonon ...