First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth R2Ni2Pb (R = Ho, Lu, and Sm) Compounds Y Benkaddour, A Abdelaoui, A Yakoubi, H Khachai, Y Al-Douri, SB Omran, ... Journal of Superconductivity and Novel Magnetism 31, 395-403, 2018 | 100 | 2018 |
The electronic, magnetic and optical properties of double perovskite A2FeReO6 (A= Sr, Ba) from first principles approach DP Rai, A Shankar, MP Ghimire, RK Thapa Computational Materials Science 101, 313-320, 2015 | 68 | 2015 |
Half-metallicity in new Heusler alloys Mn 2 ScZ (Z= Si, Ge, Sn) M Ram, A Saxena, AE Aly, A Shankar RSC advances 10 (13), 7661-7670, 2020 | 57 | 2020 |
Electronic and optical properties of cubic SrHfO3 at different pressures: a first principles study DP Rai, A Shankar, AP Sakhya, TP Sinha, B Merabet, R Khenata, ... Materials Chemistry and Physics 186, 620-626, 2017 | 52 | 2017 |
Study of the enhanced electronic and thermoelectric (TE) properties of Zr x Hf 1− x− y Ta y NiSn: a first principles study DP Rai, A Shankar, MP Ghimire, R Khenata, RK Thapa RSC Advances 5 (115), 95353-95359, 2015 | 52 | 2015 |
A comparative study of a Heusler alloy Co2FeGe using LSDA and LSDA+ U DP Rai, A Shankar, MP Ghimire, RK Thapa Physica B: Condensed Matter 407 (18), 3689-3693, 2012 | 48 | 2012 |
Electronic and magnetic properties of X2YZ and XYZ Heusler compounds: a comparative study of density functional theory with different exchange-correlation potentials DP Rai, A Shankar, AP Sakhya, TP Sinha, R Khenata, MP Ghimire, ... Materials Research Express 3 (7), 075022, 2016 | 38 | 2016 |
Electronic, optical, and thermoelectric properties of Fe2+ xV1− xAl DP Rai, S Sandeep, A Shankar, R Khenata, AH Reshak, CE Ekuma, ... AIP advances 7 (4), 2017 | 32 | 2017 |
Spin-induced transition metal (TM) doped SnO2 a dilute magnetic semiconductor (DMS): A first principles study DP Rai, A Laref, A Shankar, AP Sakhya, R Khenata, RK Thapa Journal of Physics and Chemistry of Solids 120, 104-108, 2018 | 29 | 2018 |
R. Khenata and RK Thapa DP Sandeep, AS Rai, G MP Phys. Scr 90, 065803, 2015 | 27 | 2015 |
ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF Co2YZ(Y = Cr, Z = Al, Ga) TYPE HEUSLER COMPOUNDS: A FIRST PRINCIPLE STUDY DP Rai, A Shankar, SANDEEP, MP Ghimire, RK Thapa International Journal of Modern Physics B 26 (08), 1250071, 2012 | 27 | 2012 |
CALCULATION OF COULOMB REPULSION () U FOR 3d TRANSITION ELEMENTS IN Co2YAl TYPE HEUSLER ALLOYS SJ Hashemifar, MP Ghimire, RK Thapa Armenian Journal of Physics 5 (3), 105-110, 2012 | 27 | 2012 |
GGA+ U and mBJ+ U study of the optoelectronic, magnetic and thermoelectric properties of the SmAlO3 compound with spin–orbit coupling S Chettri, DP Rai, A Shankar, R Khenata, MP Ghimire, RK Thapa, ... International Journal of Modern Physics B 30 (12), 1650078, 2016 | 26 | 2016 |
Ground state calculation of the electronic structure and magnetic properties of Co2VAl: a local spin density approximation with exchange correlation potential study DP Rai, A Shankar, MP Ghimire, RK Thapa Physica Scripta 86 (4), 045702, 2012 | 23 | 2012 |
Investigation of the structural, electronic and optical properties of the cubic RbMF3 perovskites (M= Be, Mg, Ca, Sr and Ba) using modified Becke-Johnson exchange potential DP Rai, A Shankar, MP Ghimire, R Khenata, SB Omran, SV Syrotyuk, ... Materials Chemistry and Physics 192, 282-290, 2017 | 21 | 2017 |
Study of 5f electron based filled skutterudite compound EuFe4Sb12, a thermoelectric (TE) material: FP-LAPW method A Shankar, DP Rai, R Khenata, J Maibam, RK Thapa Journal of Alloys and Compounds 619, 621-626, 2015 | 21 | 2015 |
Prediction of half-metallic ferromagnetism (HMF) in hypothetical Heusler compound Co2VSb using modified Becke Johnson (mBJ) potential DP Rai, J Maibam, BI Sharma, A Shankar, RK Thapa Journal of alloys and compounds 589, 553-557, 2014 | 21 | 2014 |
Electronic, magnetic and structural properties of the filled skutterudite EuFe4P12: LSDA and LSDA+ U calculation A Shankar, RK Thapa Physica B: Condensed Matter 427, 31-36, 2013 | 21 | 2013 |
Electronic and magnetic properties of a full-Heusler alloy Co2CrGe: a first-principles study DP Rai, A Shankar, Sandeep, MP Ghimire, RK Thapa Journal of Theoretical and Applied Physics 7, 1-6, 2013 | 20 | 2013 |
Magnetic and optical properties of perovskite-graphene nanocomposites LaFeO3-rGO: Experimental and DFT calculations SK Abdel-Aal, AE Aly, HHM Chanduví, AVG Rebaza, E Atteia, A Shankar Chemical Physics 538, 110874, 2020 | 19 | 2020 |