74 citations · 153 across the 7 of their papers we have counts for
7 papers
Element-Specific Visualization of Layer-Parity and Twist-Dependent Magnetism in CrSBr
Aalok Tiwari, Shubhada Patil, Ravi Kumar Bandapelli +16
Van der Waals (vdW) based antiferromagnets (AFMs) are an ideal platform for probing and understanding thickness- and twist-angle-dependent emergent spin phenomena. However, element…
Stability of and conduction in single-walled SiBN nanotubes
Deobrat Singh, Vivekanand Shukla, Nabil Khossossi +2
We explore the possibility and potential benefit of rolling a Si2BN sheet into single-walled nanotubes (NTs). Using density functional theory (DFT), we consider both structural sta…
Accurate non-empirical range-separated hybrid van der Waals density functional for complex molecular problems, solids, and surfaces
Vivekanand Shukla, Yang Jiao, Jung-Hoon Lee +3
We introduce a new, general-purpose, range-separated hybrid van der Waals density \ph{functional, termed vdW-DF-ahbr,} within the non-empirical vdW-DF method [JPCM 32, 393001 (2020…
Hard and soft materials: Putting consistent van der Waals density functionals to work
Carl M. Frostenson, Erik Jedvik Granhed, Vivekanand Shukla +3
We present the idea and illustrate potential benefits of having a tool chain of closely related regular, unscreened and screened hybrid exchange-correlation (XC) functionals, all w…
Optical excitations and thermoelectric properties of 2D holey graphene
Deobrat Singh, Vivekanand Shukla, Rajeev Ahuja
Recently, holey graphene (HG) has successfully synthesized at atomic precision of hole size and shape. This shows interesting physical and chemical properties for energy and enviro…
Rectifying properties in 90° rotated bilayer black phosphorus nanojunction: A first principle study
Vivekanand Shukla, Anton Grigoriev, Rajeev Ahuja
We explore the possibility of using van dar Waals bonded heterostructures of stacked together 2D bilayer black phosphorus (BP) for nanoscale device applications. The electronic pro…
Structural, electronic and intrinsic transport in two-dimensional borophene sheets
Vivekanand Shukla, Anton Grigoriev, Naresh K. Jena +1
Experimental realization of two-dimensional boron sheets was reported very recently by Feng et. al. using molecular beam epitaxy on silver (111) surface. These boron sheets possess…