Zobrazeno 1 - 10
of 234
pro vyhledávání: '"Niranjan, Manish K"'
Autor:
Ghosh, Arghya, Jana, Subrata, Rani, Dimple, Hossain, Manoar, Niranjan, Manish K, Samal, Prasanjit
Publikováno v:
Phys. Rev. B 109, 045133 (2024)
The accurate prediction of electronic and optical properties in chalcopyrite semiconductors has been a persistent challenge for density functional theory (DFT) based approaches. Addressing this issue, we demonstrate that very accurate results can be
Externí odkaz:
http://arxiv.org/abs/2401.16805
Autor:
Ghosh, Arghya, Jana, Subrata, Rauch, Tomáš, Tran, Fabien, Marques, Miguel A. L., Botti, Silvana, Constantin, Lucian A., Niranjan, Manish K., Samal, Prasanjit
Accurate theoretical prediction of the band offsets at interfaces of semiconductor heterostructures can often be quite challenging. Although density functional theory has been reasonably successful to carry out such calculations and efficient and acc
Externí odkaz:
http://arxiv.org/abs/2207.13507
Publikováno v:
In Solid State Sciences October 2024 156
Autor:
Srivastava, Komal, Shahid, Omair, Ray, Akshay K., Deepa, Melepurath, Niranjan, Manish K., Prakash, Jai
Publikováno v:
In Journal of Physics and Chemistry of Solids September 2024 192
Autor:
Ghosh, Arghya, Jana, Subrata, Niranjan, Manish K, Tran, Fabien, Wimberger, David, Blaha, Peter, Constantin, Lucian A., Samal, Prasanjit
The relative energetic stability of the structural phases of common antiferromagnetic transition-metal oxides (MnO, FeO, CoO, and NiO) within the semilocal and hybrid density functionals are fraught with difficulties. In particular, MnO is known to b
Externí odkaz:
http://arxiv.org/abs/2112.09022
Autor:
Bhavani, G., Durga Rao, T., Niranjan, Manish K., Kumar, K. Ramesh, Sattibabu, B., Petkov, V., Kannan, E.S., Reddy, B.H.
Publikováno v:
In Physica B: Condensed Matter 15 December 2024 695
Autor:
Shahid, Omair, Swati, Ishtiyak, Mohd, Rout, Sambit S.S., Ramanujachary, K.V., Niranjan, Manish K., Prakash, Jai
Publikováno v:
In Solid State Sciences June 2024 152
Autor:
Mamindla, Ramesh, Niranjan, Manish K.
Publikováno v:
In Journal of Physics and Chemistry of Solids June 2024 189
Autor:
Ghosh, Arghya, Jana, Subrata, Niranjan, Manish K, Behera, Sushant Kumar, Constantin, Lucian A., Samal, Prasanjit
The correct treatment of d electrons is of prime importance in order to predict the electronic properties of the prototype chalcopyrite semiconductors. The effect of d states is linked with the anion displacement parameter u, which in turn influences
Externí odkaz:
http://arxiv.org/abs/2105.11339
CsY2M3Se5: The first quaternary chalcogenides of the A–Y–M–Q (A = Rb/Cs; M = Cu/Ag; Q = S/Se) system
Publikováno v:
In Journal of Solid State Chemistry March 2024 331