Browsing Theoretical Sciences Unit (TSU) by Author "Ayyub, Pushan"

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The nature of the structural phase transition from the hexagonal (4H) phase to the cubic (3C) phase of silver

Chakraborty, Indrani; Shirodkar, Sharmila N.; Gohil, Smita; Waghmare, Umesh V.; Ayyub, Pushan (IoP Publishing Ltd, 2014)

The phase transition from the hexagonal 4H polytype of silver to the commonly known 3C (fcc) phase was studied in detail using x-ray diffraction, electron microscopy, differential scanning calorimetry and Raman spectroscopy. ...
A stable, quasi-2D modification of silver: optical, electronic, vibrational and mechanical properties, and first principles calculations

Chakraborty, Indrani; Shirodkar, Sharmila N.; Gohil, Smita; Waghmare, Umesh V.; Ayyub, Pushan (IoP Publishing Ltd, 2014)

We report the optical, electronic, vibrational and mechanical properties of a stable, anisotropic, hexagonal (4H) form of silver. First principles calculations based on density functional theory were used to simulate the ...

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