-
- Home
- Journals
- Bulletin of Materials Science
-
MAZHAR ULLAH
Articles written in Bulletin of Materials Science
-
-
Volume 39 Issue 6 October 2016 pp 1581-1591
Structural, elastic, electronic and optical properties of bi-alkali antimonides
G MURTAZA MAZHAR ULLAH NAEEM ULLAH MALIKA RANI M MUZAMMIL R KHENATA SHAHID M RAMAY UMAIR KHAN
The structural parameters, elastic constants, electronic and optical properties of the bi-alkali antimonides (Na$_2$KSb, Na$_2$RbSb, Na$_2$CsSb, K$_2$RbSb, K$_2$CsSb and Rb$_2$CsSb) were calculated using state-of-the-art density functional theory. Different exchange-correlation potentials were adopted to predict the physical properties of these compounds. The calculated structural parameters are found in good agreement with the available experimental and theoretical results. All the compounds are mechanically stable. The compounds Na$_2$KSb, K$_2$RbSb, K$_2$CsSb and Rb$_2$CsSb have direct bandgaps, in which chemical bonding among the cations and anions is mainly ionic. Furthermore, the optical properties of these compounds are described in detail in terms of the dielectric function, refractive index, reflectivity, optical conductivity and absorption coefficient.
-
-
Bulletin of Materials Science
Volume 44, 2021
All articles
Continuous Article Publishing mode
-
Bulletin of Materials Science | News
-
Dr Shanti Swarup Bhatnagar for Science and Technology
Posted on October 12, 2020Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
Physical Sciences 2020 -
Editorial Note on Continuous Article Publication
Posted on July 25, 2019Click here for Editorial Note on CAP Mode
-