@article{Lamichhane_Aryal_Kaphle_Adhikari_2015, title={Structural and electronic properties of perovskite hydrides ACaH3 (A=Cs and Rb)}, volume={13}, url={https://www.nepjol.info/index.php/BIBECHANA/article/view/13437}, DOI={10.3126/bibechana.v13i0.13437}, abstractNote={<p>We have performed structural properties, electronic properties, charge density and potential distribution of CsCaH<sub>3</sub> and RbCaH<sub>3 </sub>using TB-LMTO-ASA approach under local density approximation.  Our findings show that both CsCaH<sub>3</sub> and RbCaH<sub>3</sub> are non-magnetic and then insulators with estimated direct band gaps (<em>M-M)</em> of 3.15 eV and 3.17 eV respectively. Our estimated values of band gap suggest to both materials as better candidate for the high frequency ultra-violet devices. Furthermore, role of corner atoms in perovskite hydrides are also presented in this study. Present calculations agree well with the previous work.</p><p>BIBECHANA 13 (2016) 94-99</p>}, journal={BIBECHANA}, author={Lamichhane, S and Aryal, B and Kaphle, GC and Adhikari, NP}, year={2015}, month={Dec.}, pages={94–99} }