Investigations on the thermoelectric and thermodynamic properties of quaternary coinage metal HgSBr von M, Hariharan, R.D, Eithiraj

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Structural, electronic, magnetic, and thermoelectric properties of newly predicted Fe2CoS and Ni2CoS alloys for spintronics applications: A DFT study von Hariharan, M., Eithiraj, R.D.

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First-principles calculation of structural, electronic, optical and thermoelectric properties of Li3TrAs2 (Tr = Al, Ga) von Vijay, A., Eithiraj, R.D.

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Unveiling the recently synthesis noncentrosymmetric layered ASb3X2O12 (A = K, Rb, Cs, Tl; X = Se, Te) via first principles calculations von Hariharan, M., Eithiraj, R.D.

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Combined DFT and MD simulation approach for the investigation of intrinsic material properties of T-phase Rb2Se monolayer von Sneha, G., Eithiraj, R.D.

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Structural, electronic, optical, and thermoelectric properties of Li2ZnCl4 based on density functional theory computations von Vijay, A., Eithiraj, R.D.

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Exploring bonding nature, electronic, optical and thermoelectric properties of ternary compound Na2ZnCl4via first-principles calculations von Vijay, A., Eithiraj, R.D.

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Exploring bonding nature, electronic, optical and thermoelectric properties of ternary compound Na2ZnCl4 via first-principles calculations von Vijay, A., Eithiraj, R.D.

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Structural, electronic, magnetic, and thermoelectric properties of full-Heusler alloys A2CoS (A=Cu, Zn) for spintronic application via conceptual DFT study von Hariharan, M., Vijay, A., Cabellos, Jose Luis, Algethami, Norah, Parthiban, S., Eithiraj, R.D.

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Structural, electronic, optical, and thermoelectric properties of 2D honeycomb-like 1T-Rb2S monolayer: A DFT study von Sneha, G., Chellaiya Thomas Rueshwin, S., Eithiraj, R.D.

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An investigation of the 2D Rb2O monolayer intrinsic properties from a theoretical perspective using DFT von Chellaiya Thomas Rueshwin, S., Eithiraj, R.D.

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Exploring chemical bonding nature, weak exciton effect, electronic, optical and thermoelectric properties of NaReN2 via DFT computations von Vijay, A., Hariharan, M., Luis Cabellos, Jose, Eithiraj, R.D.

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Suitability of amorphous TiO2 nanoparticles as a photoelectrode in dye sensitized solar cells: A DFT–TDDFT study von Eithiraj, R.D., Geethalakshmi, K.R.

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First-principle study of structural and electronic properties of V2Se von Vijay, A., Thamizharasan, G., Eithiraj, R.D.

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Wannier-Mott excitons in alkali metal-based nitridorhenate: A DFT study von Vijay, A., Hariharan, M., Sneha, G., Eithiraj, R.D.

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Spin reorientation transition in nanoscale multiferroic PrFeO3 and its band structure calculation von Sudandararaj, A. Titus Samuel, Kumar, G. Sathish, Dhivya, M., Eithiraj, R.D., Banu, I.B. Shameem

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Magnetism induced by nonmagnetic dopant in [Li.sub.2]O, [Na.sub.2]O, [K.sub.2]O and [Rb.sub.2]O: first-principles calculations von Eithiraj, R.D, Kalpana, G

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Band structure calculation and rietveld refinement of nanoscale GdFeO3 with affirmation of Jahn Teller's distortion on electric and magnetic properties von Titus Samuel Sudandararaj, A., Sathish Kumar, G., Dhivya, M., Eithiraj, R.D., Banu, I.B. Shameem

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Half-metallic ferromagnetism in I 2–VI compounds with non-magnetic dopants von Eithiraj, R.D., Kalpana, G.

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Half-metallic ferromagnetism in (C, Si, Ge, Sn and Pb)-doped I2–VI compounds: An ab initio study von Eithiraj, R.D., Kalpana, G.

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