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The electronic and optical properties of MgO mono-layer: Based on GGA-mBJ


Ab initio investigation of the optical properties of layered MoSxSe(2−x) (0 ≤ x ≤ 2): By GGA and mBJ approaches

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Central orderings for the Newton interpolation formula


Towards Best Approximations for \(\left \vert x\right \vert ^{\alpha }\)

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10.1016/J.PHYSB.2019.01.034

Structural, electronic, optical and elastic properties of XLa2S4 (X = Ba; Ca): Ab initio study


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10.1016/J.CPLETT.2018.10.068

The band offset, Half-metallic and optical behavior in the CrSb/KCl [0 0 1] interface: By DFT calculation


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10.1016/j.ijleo.2019.163360

Electronic and optical properties of two propounded compound in photovoltaic applications, CsPbI3 and CH3NH3PbI3: By DFT


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10.1016/j.cocom.2019.e00398

Results of optical and thermal study of lead sulfide (PbS), Barium sulfide (BaS) and their ternary (Pb1-xBaxS) (0≤x≤1)alloys


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10.1016/j.cjph.2019.09.004

Ferromagnetic Half-Semiconductor (HSC) gaps in co-doped CdS: Ab-initio study


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10.1007/s12034-019-1874-5

First principles investigation of the structural, electronic, thermal and transport properties of new ternary auride $$\hbox {X}_{3}$$X3AuO (X = K and Rb) semiconductors


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10.1016/J.CJPH.2019.05.024

A comparative study between Hg2CuTi and Cu2MnAl type structures for Zr2CoZ (Z = Al, Ga, In) Heusler alloys


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10.1016/J.COCOM.2018.E00355

Modified Becke–Johnson (mBJ) exchange potential investigations of the structural and optoelectronic properties of BaThO3 in cubic and orthorhombic phase


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10.1016/j.jmgm.2019.07.011

Structural, electronic and thermal properties of AlxGa1-xAs ternary alloys: Insights from DFT study.


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10.12693/APHYSPOLA.135.451

First-Principles Calculations of the Structural, Electronic and Magnetic Properties of Mn-Doped InSb by Using mBJ Approximation for Spintronic Application


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10.1016/J.CJPH.2019.04.012

DFT investigation on the electronic and thermoelectric properties of ternary semiconductor AgBiS2 for energy conversion application


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10.1016/j.mtcomm.2019.100672

First-principles calculations of wurtzite ZnS1-xSex solid solutions for photocatalysis


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10.1016/j.cocom.2019.e00432

Ab-initio investigations of the structural, electronic, magnetic and optical properties of Ca1-xEuxLiF3 fluoroperovskite


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