1. Band-gap engineering of La1−xNdxAlO3 (x = 0, 0.25, 0.50, 0.75, 1) perovskite using density functional theory: A modified Becke Johnson potential study *Project supported by the DST-SERB, Dy (Grant No. SERB/3586/2013-14), the UGCBSR, FRPS (Grant No. F.30-52/2014), the UGC (New Delhi, India) Inspire Fellowship DST (India), and the Deanship of Scientific Research at King Saud University (Grant No. RPG-VPP-088). M P Ghimire thanks the Alexander von Humboldt Foundation, Germany for the financial support. (20th April 2016) Authors: Sandeep, ; Rai, D P; Shankar, A; Ghimire, M P; Pradhan Sakhya, Anup; Sinha, T P; Khenata, R; Bin Omran, S; Thapa, R K Journal: Chinese physics B Issue: Volume 25:Number 6(2016) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Electronic and magnetic properties of X2YZ and XYZ Heusler compounds: a comparative study of density functional theory with different exchange-correlation potentials. (29th July 2016) Authors: Rai, D P; Sandeep, ; Shankar, A; Sakhya, Anup Pradhan; Sinha, T P; Khenata, R; Ghimire, M P; Thapa, R K Journal: Materials research express Issue: Volume 3:Number 7(2016) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Electronic, and thermoelectric properties of half-heusler compounds MCoSb (M = Ti, Zr, Hf): a first principles study. (20th March 2019) Authors: Joshi, H; Rai, D P; Laref, Amel; Thapa, R K Journal: Materials research express Issue: Volume 6:Number 6(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Electronic, optical, and thermoelectric properties of Janus In-based monochalcogenides. (4th May 2021) Authors: Vu, Tuan V; Vi, Vo T T; Phuc, Huynh V; Nguyen, Chuong V; Poklonski, N A; Duque, C A; Rai, D P; Hoi, Bui D; Hieu, Nguyen N Journal: Journal of physics Issue: Volume 33:Number 22(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Ferromagnetic half-metallicity in half-Heusler AuMnSn:Te Alloy. (29th July 2020) Authors: Chibueze, T C; Ekuma, C E; Raji, A T; Rai, D P; Okoye, C M I Journal: Materials research express Issue: Volume 7:Number 7(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Modulation of electronic and magnetic properties of MoX2 (X = S and Se) monolayer via mono- and co-transition metal dopants: Spin density functional theory. (1st September 2022) Authors: Thajitr, W; Busayaporn, W; Rai, D P; Sukkabot, W Journal: Physica scripta Issue: Volume 97:Number 9(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Optoelectronic and thermoelectric properties of Zintl YLi3A2 (A = Sb, Bi) compounds through modified Becke–Johnson potential. (25th August 2016) Authors: Seddik, T; Uğur, G; Khenata, R; Uğur, Ş; Soyalp, F; Murtaza, G; Rai, D P; Bouhemadou, A; Bin Omran, S Journal: Chinese physics B Issue: Volume 25:Number 10(2016) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Perpendicular magnetocrystalline anisotropy energy (MAE) of 111-surface slab of Fe2CoAl. (5th June 2020) Authors: Lalrinkima, ; Fomin, L A; Malikov, I V; Zadeng, Lalthakimi; Rai, D P Journal: Materials research express Issue: Volume 7:Number 6(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Sn3C2 monolayer with transition metal adatom for gas sensing: a density functional theory studies. (9th June 2021) Authors: Obodo, K O; Ouma, C N M; Obodo, J T; Gebreyesus, G; Rai, D P; Ukpong, A M; Bouhafs, B Journal: Nanotechnology Issue: Volume 32:Number 35(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Study of electronic and magnetic properties in 4f electron based cubic EuAlO3: a first-principles calculation. (21st May 2015) Authors: Sandeep, ; Rai, D P; Shankar, A; Ghimire, M P; Khenata, R; Thapa, R K Journal: Physica scripta Issue: Volume 90:Number 6(2015:Jun.) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗