Electronic and optical properties of bulk and surface of CsPbBr3 inorganic halide perovskite a first principles DFT 1/2 approach
Ezzeldien, Mohammed, Al-Qaisi, Samah, Alrowaili, Z. A., Alzaid, Meshal, Maskar, E., Es-Smairi, A., Vu, Tuan V., Rai, D. P.
Published in Scientific reports (18.10.2021)
Published in Scientific reports (18.10.2021)
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Electronic, elastic and X-ray spectroscopic properties of direct and inverse full Heusler compounds Co2FeAl and Fe2CoAl, promising materials for spintronic applications: a DFT+U approach
Siakeng, Lalrinkima, Mikhailov, Gennady M, Rai, D. P
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (2018)
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (2018)
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Modulation of optical absorption in m-Fe1−xRuxS2 and exploring stability in new m-RuS2
Joshi, H., Ram, M., Limbu, N., Rai, D. P., Thapa, B., Labar, K., Laref, A., Thapa, R. K., Shankar, A.
Published in Scientific reports (23.03.2021)
Published in Scientific reports (23.03.2021)
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A theoretical investigation of electronic and optical properties of (6,1) single-wall carbon nanotube (SWCNT)
Rai, D. P., Singh, Y. T., Chettri, B., Houmad, M., Patra, P. K.
Published in Carbon Letters (01.06.2021)
Published in Carbon Letters (01.06.2021)
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Author Correction: Modulation of optical absorption in m-Fe1−xRuxS2 and exploring stability in new m-RuS2
Joshi, H., Ram, M., Limbu, N., Rai, D. P., Thapa, B., Labar, K., Laref, A., Thapa, R. K., Shankar, A.
Published in Scientific reports (02.08.2021)
Published in Scientific reports (02.08.2021)
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Ground state properties of filled skutterudite EuRu4P12: A first principles study
Shankar, A., Rai, D.P., Sandeep, Thapa, R.K.
Published in Journal of alloys and compounds (25.11.2013)
Published in Journal of alloys and compounds (25.11.2013)
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Perpendicular magnetocrystalline anisotropy energy (MAE) of 111-surface slab of Fe2CoAl
Lalrinkima, Fomin, L A, Malikov, I V, Zadeng, Lalthakimi, Rai, D P
Published in Materials research express (01.06.2020)
Published in Materials research express (01.06.2020)
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Ferromagnetic half-metallicity in half-Heusler AuMnSn:Te Alloy
Chibueze, T C, Ekuma, C E, Raji, A T, Rai, D P, Okoye, C M I
Published in Materials research express (01.07.2020)
Published in Materials research express (01.07.2020)
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A theoretical investigation of the lead‐free double perovskites halides Rb2XCl6 (X = Se, Ti) for optoelectronic and thermoelectric applications
Al‐Qaisi, Samah, Mebed, Abdelazim M., Mushtaq, Muhammad, Rai, D. P., Alrebdi, Tahani A., Sheikh, Rais Ahmad, Rached, Habib, Ahmed, R., Faizan, Muhammad, Bouzgarrou, S., Javed, Muhammad Anjum
Published in Journal of computational chemistry (15.07.2023)
Published in Journal of computational chemistry (15.07.2023)
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First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X = Co, Rh, Ir)
Zosiamliana, R, Kima, Lalrin, Mawia, Zodin, Zuala, Lalhriat, Abdurakhmanov, G, Rai, D P
Published in Journal of physics. Condensed matter (14.02.2024)
Published in Journal of physics. Condensed matter (14.02.2024)
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First-principles computations of YxGa1-xAs-ternary alloys: a study on structural, electronic, optical and elastic properties
Touam, S, Belghit, R, Mahdjoubi, R, Megdoud, Y, Meradji, H, Khan, Muhammad Shehryar, Ahmed, R, Khenata, R, Ghemid, S, Rai, D P, Al-Douri, Y
Published in Bulletin of materials science (01.12.2020)
Published in Bulletin of materials science (01.12.2020)
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Electronic, optical, and thermoelectric properties of Janus In-based monochalcogenides
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
Published in Journal of physics. Condensed matter (04.05.2021)
Published in Journal of physics. Condensed matter (04.05.2021)
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Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications
Celestine, L, Zosiamliana, R, Kima, Lalrin, Chettri, Bhanu, Singh, Y T, Gurung, Shivraj, Surajkumar Singh, N, Laref, A, Rai, D P
Published in Journal of physics. Condensed matter (14.08.2024)
Published in Journal of physics. Condensed matter (14.08.2024)
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Comprehensive investigation of structural, magnetic, electronic, optical, mechanical, and piezoelectric properties of ATiO3 (A = Mn, Fe, Ni) compounds for sustainable energy materials
Lalhumhima, Lalroliana, Bernard, Lalmuanchhana, Zosiamliana, R, Rai, D P, Tiwari, R C, Lalhriatzuala
Published in Journal of physics. Condensed matter (21.08.2024)
Published in Journal of physics. Condensed matter (21.08.2024)
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Ab initio investigation of non-metal-doped ZnS monolayer
Chhana, Lalmuan, Tiwari, Ramesh Chandra, Chettri, B., Rai, D. P., Gurung, Shivraj, Zuala, Lalhriat
Published in Applied physics. A, Materials science & processing (01.09.2021)
Published in Applied physics. A, Materials science & processing (01.09.2021)
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