Browsing Division of Chemical Sciences by Advisor "Singh, Abhishek Kumar"
Now showing items 1-2 of 2
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Accelerated search for thermoelectric and topological materials using first-principles and machine learning
In summary, we have performed first-principles calculations to study the topological phase transitions in chalcopyrite compounds as a function of hydrostatic pressure. These compounds are topological insulators in the ... -
Investigation of Structural and Electronic Aspects of Ultrathin Metal Nanowires
(2018-02-11)The constant trend of device miniaturization along with ever-growing list of unusual behaviour of nanoscale materials has fuelled the recent research in fabrication and applications of ultrathin (~2 nm diameter) nanowires. ...