A new candidate for optoelectronic device applications: CoTiX (X: P, As, Sb) half-heusler compounds

İK Durukan, YO Ciftci, H Tekin - Physica B: Condensed Matter, 2024 - Elsevier
Some theoretical calculations of CoTiX (X: P, As, Sb) Half-Heusler (HH) compounds in
MgAgAs-type structure have been analyzed using density functional theory (DFT). These …

DFT study on the structural, mechanical, electronic, optical and thermodynamic properties of recently synthesized MAX Phase compounds A3InC2 (A= Zr, Hf) under …

R Khatun, A Rahman, DC Roy, AA Khatun… - Materials Today …, 2024 - Elsevier
Very recently the In-based MAX phases A 3 InC 2 (A= Zr, Hf) have received great attraction
for their exceptional physical properties. Here, the physical properties of A 3 InC 2 (A= Zr, Hf) …

Computational study of effects of doping Ni and Pd on CoAl for hydrogen storage capacity, elastic and electronic properties

YO Ciftci, G Corbaci - Materials Today Communications, 2023 - Elsevier
Intermetallic compounds in B2 structure which have low density, fracture, and high strength
have important applications in different engineering applications. For energy storage …

Pressure effects on the structural, electronic, elastic, optical, and vibrational properties of YMg intermetallic compounds: a first-principles study

YO Ciftci, B Çatıkkaş - Physica Scripta, 2024 - iopscience.iop.org
The properties of YMg in B2 structure have been comprehensively analysed using the first-
principles plane-wave pseudopotential method. Specifically, the structural, electronic …

Computational analysis of the physical properties of AlNi ıntermetallic compound: pressure effect

İ Kars Durukan, Y Oztekin Ciftci - Indian Journal of Physics, 2024 - Springer
Some physical properties of AlNi alloy, which is known to be suitable for high-temperature
applications, were analyzed theoretically by the DFT method under pressure. Structural …

Mechanical, vibration, and optical properties of IrAl intermetallic compound via DFT calculations: high-pressure effect

İK Durukan - Physica Scripta, 2023 - iopscience.iop.org
In this study, the effect of pressure on the structural, elastic, anisotropy, electronic, phonon,
and optical properties of the IrAl compound in B2 structure was investigated by the first …