Search Results - "Nabi Lone, Ikram Un"

Computational study of phase stability, electronic, magnetic and thermoelectric properties of a new quaternary Heusler alloy CrCoIrGa by Mushtaq, Muhammad, Al-Qaisi, Samah, Nabi Lone, Ikram Un

“…Exploring new materials with interesting physical properties plays a vital role in the development of modern technologies. Herein, using density functional…”
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Theoretical simulation of optoelectronic and structural properties of ASiN2 (A = Be, Mg, Ca, Sr) semiconductors by Thahirunnisa, S.R., Banu, I.B. Shameem, Elavarasi, S. Begum, Un Nabi Lone, Ikram

“…Using first-principles calculations, we have explored the structural, electronic and optical properties of ternary chalcopyrites ASiN2 (A = Be, Mg, Ca, Sr)…”
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A density functional calculations on electronic, magnetic, optical, mechanical and half-metallic properties in molybdenum based pnictogens in GGA and GGA+U approach by Nabi Lone, Ikram Un, Sheik Sirajuddeen, M. Mohamed, Mohamed, S.B., Khalid, Saubia

“…Based on density functional theory (DFT) within GGA and GGA + U approach, we present the structural, electronic, magnetic, optical, and mechanical properties…”
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A comparison study of the structural, electronic and magnetic properties in zinc-blende PtxCr1-xP and RhxCr1-xP (x = 0.125, 0.25), and half-Heusler XCrP (X = Pt, Rh): First principles calculations by Lone, Ikram Un Nabi, Sirajuddeen, M. Mohamed Sheik, Rubab, S.

“…By the theoretical approach using the full potential linearized augmented plane wave (FP-LAPW) method, the structural, electronic and magnetic properties of…”
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First-principles investigation of electronic, magnetic and half-metallic properties in Cr1-xPdxP (x = 0.125, 0.25 and 0.375): A spin flip behavior by Un Nabi Lone, Ikram, Sirajuddeen, M. Mohamed Sheik

“… In this study, using full potential linearized augmented plane wave (FP-LAPW) method, the electronic and magnetic properties of CrP doped with Pd in various…”
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Structural, elastic and magnetic properties of Mn and Sb doped chromium nitride – An ab initio study by Un Nabi Lone, Ikram, M. Mohamed, Sheik Sirajuddeen, Shameem Banu, I.B., Sathik Basha, S.

“…Structural, magnetic and elastic properties of Mn and Sb doped CrN were investigated by the electronic band structure calculations using Full Potential Linear…”
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A comparative study in rocksalt and zincblende structured binary and doped alkaline earth pnictides SrP and SrAs by first-principles perspective by Nabi Lone, Ikram Un, Barhum, Hani, Zamrood, Tawqeer, Banu, I.B. Shameem, Khalid, Saubia, Thahirunnisa, S.R.

“…The electronic, magnetic and half-metallic structure-dependent properties of the binary alkaline earth pnictides SrP and SrAs are evaluated using the formalism…”
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Effect of hydrostatic pressure and the emergence of half metallic ferromagnetism in rhodium oxide - A DFT+U perspective by Sirajuddeen, M. Mohamed Sheik, Sundareswari, M., Mohamed, I. Raja, Elavarasi, S. Begam, Nabi Lone, Ikram Un, Teli, Nazir Ahmad, Rahmathulla, Syed, Hussain, Mohammed Shoaib

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Half metallic ferromagnetism in gallium and zinc doped chromium phosphide: First principles calculations by Lone, Ikram Un Nabi, Sirajuddeen, M. Mohamed Sheik

“…The electronic and magnetic properties of CrP doped with Ga and Zn are reported by the electronic band structure calculations using full potential linearized…”
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Effect of halogens in MgO to predict half-metallic ferromagnetism: By first principles calculations by Teli, Nazir Ahmad, Sirajuddeen, M. Mohamed Sheik, Lone, Ikram Un Nabi

“…Using the First Principles calculations within the frame work of density functional theory (DFT) the structural, electronic and magnetic properties were…”
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Tailoring the Inherent Magnetism and Thermoelectric Response of Pyrochlore Oxide A2B2O7 (A = Er, B = Ru, Sn, Ge, Pt): A Computational Approach by Berri, Saadi, Kaur, Kulwinder, C.Gupta, Dinesh, Sofi, Shakeel Ahmad, Singh, Jaspal, Srinivasana, Marutheeswaran, Wani, Aadil Fayaz, Lone, Ikram Un Nabi

“…In this work, the first principle approach is used extensively to scrutinize the magneto-electronic properties of ternary A 2 B 2 O 7 (A = Er and B = Ru, Sn,…”
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Investigation of structural, electronic, magnetic and half-metallic properties in ternary zinc blende CrMoO and ScMoO by GGA and GGA+U method: First principles study by Lone, Ikram Un Nabi, Sheik Sirajuddeen, M. Mohamed

“…First principles calculations of zinc blende CrMoO and ScMoO in GGA and GGA + U methods are presented. Ferromagnetic states are predicted to be more stable…”
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DFT calculations on the ternary MScP, quaternary MSc2P (M = Cu, Zn), and Cu and Zn doped in semiconducting scandium phosphide by GGA and GGA+U approach by Lone, Ikram Un Nabi, Sirajuddeen, M Mohamed Sheik, Teli, Nazir Ahmad, Raza, Hafiz Hamid, Khalid, Saubia, Hammad, Raheel

“…Based on density functional theory (DFT), we present the structural, electronic, magnetic and half-metallic properties of MxSc1-xP (M = Cu, Zn; x = 0.125,…”
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Structure, half-metallic and magnetic properties of bulk and (001) surface of Rb 2 XMoO 6 (X = Cr, Sc) double perovskites: a DFT + U study by Mebed, Abdelazim M, Mushtaq, Muhammad, Muhammad, Iltaf, Lone, Ikram Un Nabi, AL-Qaisi, Samah, Algethami, Norah, EL-Shamy, E F, Laref, Amel, AL-Hosiny, N M

“…Half-metallic (HM) ferromagnets (HM-FMs) with large HM gap and high Curie temperature (T C ) have a great importance in the field of spintronics. In this…”
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First-Principles Study on Electronic, Magnetic, Optical, Mechanical, and Thermodynamic Properties of Semiconducting Gadolinium Phosphide in GGA, GGA+U, mBJ, GGA+SOC and GGA+SOC+U approaches by Lone, Ikram Un Nabi, Sirajuddeen, M. Mohamed Sheik, Khalid, Saubia, Raza, Hafiz Hamid

“…In the current article, the electronic, magnetic, and optical properties of GdP in the hypothetical zinc blende structure have been discussed by using GGA,…”
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Structure, half-metallic and magnetic properties of bulk and (001) surface of Rb2XMoO6 (X = Cr, Sc) double perovskites: a DFT + U study by Mebed, Abdelazim M, Mushtaq, Muhammad, Muhammad, Iltaf, Lone, Ikram Un Nabi, AL-Qaisi, Samah, Algethami, Norah, EL-Shamy, E F, Laref, Amel, AL-Hosiny, N M

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Insights on optical and charge density properties of semiconducting chalcopyrites ZnAP2 (A = Si, Ge, Sn) using modified Becke-Johnson potential – A first principles study by Thahirunnisa, S.R., Shameem Banu, I.B., Mohamed Sheik Sirajuddeen, M., Lone, IkramUn Nabi

“…The body centered tetragonal chalcopyrites ZnAP2 (A = Si, Ge, Sn) were explored by employing the full potential linearized augmented plane wave method towards…”
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