30 citations · 126 across the 14 of their papers we have counts for
14 papers
Electronic structure reorganization in MPS3 via d-shell-selective alkali metal doping
Jonah Elias Nitschke, Preeti Bhumla, Till Willershausen +10
Semiconducting two-dimensional (2D) antiferromagnetic (AFM) transition-metal thiophosphates (MPS3) offer promising opportunities for spintronic applications due to their highly tun…
Effect of crystal field engineering and Fermi level optimization on thermoelectric properties of GeTe: Experimental investigation and theoretical insight
Ashutosh Kumar, Preeti Bhumla, D. Sivaprahasam +2
This study shows a method of enhancing the thermoelectric properties of GeTe-based materials by Ti and Bi co-doping on cation sites along with self-doping with Ge via simultaneous…
Rashba and Dresselhaus effects in doped methylammonium lead halide perovskite MAPbI
Megha Arya, Preeti Bhumla, Sajjan Sheoran +2
Inorganic-organic lead halide perovskites, particularly methylammonium lead halide (MAPbI) perovskite, is perceived to be a promising material for optoelectronics and spintroni…
Vacancy-Ordered Double Perovskites CsBI (B = Pt, Pd, Te, Sn): An Emerging Class of Thermoelectric Materials
Preeti Bhumla, Manjari Jain, Sajjan Sheoran +1
Vacancy-ordered double perovskites (ABX), being one of the environmentally friendly and stable alternatives to lead halide perovskites, have garnered considerable research…
Electrocatalytic Study for Hydrogen Evolution Reaction on MoS/BP and MoSSe/BP in Acidic Media
Arunima Singh, Preeti Bhumla, Manjari Jain +1
Molecular hydrogen (H) production by electrochemical hydrogen evolution reaction (HER) is being actively explored for non-precious-metal based electrocatalysts that are earth-a…
Exploring strong and weak topological states on isostructural substitutions in TlBiSe2
Ankita Phutela, Preeti Bhumla, Manjari Jain +1
Topological Insulators (TIs) are unique materials where insulating bulk hosts linearly dispersing surface states protected by the Time-Reversal Symmetry (TRS). These states lead to…
Full-plane persistent spin textures with cubic order intrinsic and anisotropic band splitting in bulk Lead-free materials
Sajjan Sheoran, Preeti Bhumla, Saswata Bhattacharya
Spin-orbit coupling (SOC) effects occurring in noncentrosymmetric materials are known to be responsible for nontrivial spin configurations and a number of emergent physical phenome…
Lead Free Alloyed Double Perovskites: An Emerging Class of Materials from Many-Body Perturbation Theory
Manjari Jain, Manish Kumar, Preeti Bhumla +1
The discovery of lead free all-inorganic alloyed double perovskites have revolutionized photovoltaic research, showing promising light emitting efficiency and its tunability. Howev…
Origin of Rashba spin-splitting and strain tunability in ferroelectric bulk CsPbF
Preeti Bhumla, Deepika Gill, Sajjan Sheoran +1
Spin-orbit coupling (SOC) in conjunction with broken inversion symmetry acts as a key ingredient for several intriguing quantum phenomena viz. persistent spin textures, topological…
Synergistic effect of workfunction and acoustic impedance mismatch for improved thermoelectric performance in GeTe/WC composite
Ashutosh Kumar, Preeti Bhumla, Artur Kosonowski +4
The preparation of composite materials is promising for concurrent optimization of electrical and thermal transport properties to realize an improved thermoelectric (TE) performanc…
Rashba dominated spin-splitting in the bulk ferroelectric oxide perovskite KIO3
Sajjan Sheoran, Manish Kumar, Preeti Bhumla +1
The momentum-dependent Rashba and Dresselhaus spin-splitting has gained much attention for its highly promising applications in spintronics. In the present work, ab initio density…
Metastability Triggered Reactivity in Clusters at Realistic Conditions: A Case Study of N-doped (TiO) for Photocatalysis
Shikha Saini, Pooja Basera, Manish Kumar +2
Here we report a strategy, by taking a prototypical model system for photocatalysis (viz. N-doped (TiO) clusters), to accurately determine low energy metastable structures…
High-Throughput Screening for Band gap Engineering by Sublattice Mixing of CsAgBiCl from First-Principles
Deepika Gill, Preeti Bhumla, Manish Kumar +1
The lead-free double perovskite material (viz. CsAgBiCl) has emerged as an efficient and environmentally friendly alternative to lead halide perovskites. To make CsAgBi…
Theoretical Insights into CH Bond Activation of Methane by Transition Metal Clusters: The Role of Anharmonic Effects
Preeti Bhumla, Manish Kumar, Saswata Bhattacharya
Aiming towards materials design for methane activation, we study temperature (), pressure () dependence of the composition, structure, and stability of metal oxide clusters i…