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 | 37 | 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 | 34 | 2012 |

Study of the enhanced electronic and thermoelectric (TE) properties of ZrxHf1− x− yTayNiSn: a first principles study DP Rai, A Shankar, MP Ghimire, R Khenata, RK Thapa RSC Advances 5 (115), 95353-95359, 2015 | 32 | 2015 |

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 | 31 | 2016 |

Possible half-metallic antiferromagnetism in an iridium double-perovskite material MP Ghimire, LH Wu, X Hu Physical Review B 93 (13), 134421, 2016 | 31 | 2016 |

Study of energy bands and magnetic properties of Co_{2}CrSi Heusler alloyDP Rai, MP Ghimire, RK Thapa Bulletin of Materials Science 34 (6), 1219-1222, 2011 | 30 | 2011 |

A DFT study of BeX (X= S, Se, Te) semiconductor: modified Becke Johnson (mBJ) potential DP Rai, MP Ghimire, RK Thapa Semiconductors 48 (11), 1411-1422, 2014 | 26 | 2014 |

Electronic, optical, and thermoelectric properties of Fe_{2+x}V_{1−x}AlDP Rai, Sandeep, A Shankar, R Khenata, AH Reshak, CE Ekuma, ... AIP advances 7 (4), 045118, 2017 | 23 | 2017 |

Study of Co 2 MnAl Heusler alloy as half metallic ferromagnet DP Rai, J Hashemifar, M Jamal, MP Ghimire, DT Khathing, PK Patra, ... Indian Journal of Physics 84 (6), 717-721, 2010 | 23 | 2010 |

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 | 22 | 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 | 22 | 2012 |

First principles study of the electronic and magnetic properties of semi-Heusler alloys NiXSb (X= Ti, V, Cr and Mn) MP Ghimire, TP Sinha, RK Thapa Journal of alloys and compounds 509 (41), 9742-9752, 2011 | 22 | 2011 |

Study of electronic and magnetic properties in 4f electron based cubic EuAlO3: a first-principles calculation DP Rai, A Shankar, MP Ghimire, R Khenata, RK Thapa Physica Scripta 90 (6), 065803, 2015 | 21 | 2015 |

Ghimire and Lamuanpuia Indian J RK Thapa, MP Sandeep Phys 85, 727, 2011 | 20 | 2011 |

Electronic structure and magnetic properties of Co 2 YZ (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 | 19 | 2012 |

Ghimire, and RK Thapa DP Rai, MP Sandeep Int. J. Mod. Phys. B 26, 1250071, 2012 | 18 | 2012 |

Ground state properties of filled skutterudite EuRu4P12: A first principles study A Shankar, DP Rai, RK Thapa Journal of alloys and compounds 578, 559-564, 2013 | 17 | 2013 |

Correction: Study of the enhanced electronic and thermoelectric (TE) properties of ZrxHf1− x− yTayNiSn: a first principles study DP Rai, A Shankar, MP Ghimire, R Khenata, RK Thapa RSC advances 6 (16), 13358-13358, 2016 | 14 | 2016 |

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 | 13 | 2016 |

Study of DOS and energy band structures in beryllium chalcogenides RK Thapa, MP Ghimire Indian Journal of Physics 85 (5), 727-736, 2011 | 13 | 2011 |