Sudhanshu Choudhary
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View article: Transition metal induced- magnetization and spin-polarisation in black arsenic phosphorous
Transition metal induced- magnetization and spin-polarisation in black arsenic phosphorous Open
The electronic and magnetic properties of two-dimensional black Arsenic Phosphorus (b-AsP) on adsorption of Transition Metals (TM) on its surface are investigated using density functional theory (DFT) based on first principles calculations…
View article: Effect of rare earth metal (lanthanum) doping on optical and electronic properties of lithium niobate (LiNbO3): DFT insights
Effect of rare earth metal (lanthanum) doping on optical and electronic properties of lithium niobate (LiNbO3): DFT insights Open
In this paper the optical properties and electronic strcuture of rare earth metal lanthanum doped lithium niobite are presented. All the computations are achieved on ATK VNL tool kit by utilizing density functional theory. In electronic pr…
View article: Changes in Electronic and Optical characteristics of Halogen - Alkali adsorbed WSe2 monolayer
Changes in Electronic and Optical characteristics of Halogen - Alkali adsorbed WSe2 monolayer Open
Adsorbing halogen and alkali metals atoms modify the optical and electrical characteristics of WSe 2 monolayer (2D). The electrical and optical characteristics of the Wse 2 monolayer, alkali and halogen atoms adsorbed WSe 2 structures are …
View article: Tuning the electronic and optical properties of the sphalerite by adsorbing halogen and alkali metals
Tuning the electronic and optical properties of the sphalerite by adsorbing halogen and alkali metals Open
TThe electronic and optical properties of sphalerite (ZnS) are modulated by adsorbing alkali metals (Li, Na, K, Rb, Cs) and halogen (F, Cl, Br, I, At). Simulations based on density‐functional theory are used to study the electronic and opt…
View article: First principles study on copper and iridium co-doped SrTiO3 for shifting the optical absorption into visible region
First principles study on copper and iridium co-doped SrTiO3 for shifting the optical absorption into visible region Open
View article: Visible region absorption in TMDs/phosphorene heterostructures for use in solar energy conversion applications
Visible region absorption in TMDs/phosphorene heterostructures for use in solar energy conversion applications Open
Heterostructures of pristine black phosphorene (P) with transition metal dichalcogenide (TMD) monolayers of MoS2, MoSe2, MoTe2, WS2, and WSe2 are investigated using density functional …
View article: Tuning the tunneling magnetoresistance by using fluorinated graphene in graphene based magnetic junctions
Tuning the tunneling magnetoresistance by using fluorinated graphene in graphene based magnetic junctions Open
Spin polarized properties of fluorinated graphene as tunnel barrier with CrO2 as two HMF electrodes are studied using first principle methods based on density functional theory. Fluorinated graphene with different fluorine coverages is exp…
View article: Effect of Twisting and Stretching on Magneto Resistance and Spin Filtration in CNTs
Effect of Twisting and Stretching on Magneto Resistance and Spin Filtration in CNTs Open
Spin-dependent quantum transport properties in twisted carbon nanotube and stretched carbon nanotube are calculated using density functional theory (DFT) and non-equilibrium green’s function (NEGF) formulation. Twisting and stretching have…
View article: Effect of Twisting and Stretching on Magneto Resistance and Spin Filtration in CNTs
Effect of Twisting and Stretching on Magneto Resistance and Spin Filtration in CNTs Open
Spin dependent quantum transport properties in twisted carbon nanotube and stretched carbon nanotube are calculated using density functional theory (DFT) and non-equilibrium green’s function (NEGF) formulation. Twisting and stretchin…