6 citations · 12 across the 13 of their papers we have counts for
8 papers · 1 filter
Unveiling Defect Physics in Gapped Metals: A Theoretical Investigation into Defect Formation and Electronic Structure Interplay
Harshan Reddy Gopidi, Lovelesh Vashist, Oleksandr I. Malyi
In materials science, point defects play a crucial role in materials properties. This is particularly well known for the wide band gap insulators where the defect formation/compens…
Temperature-induced suppression of structural disproportionation in paramagnetic quantum materials
Himanshu Joshi, Mateusz Wlazło, Harshan Reddy Gopidi +1
With the development of electronic structure theory, a new class of materials - quantum ones has been recognized by the community. Traditionally, it has been believed that the prop…
Understanding ice and water film formation on soil particles by combining DFT and Casimir-Lifshitz forces
M. Boström, S. Kuthe, S. Carretero-Palacios +7
Thin films of ice and water on soil particles play crucial roles in environmental and technological processes. Understanding the fundamental physical mechanisms underlying their fo…
A knob to tune the Casimir-Lifshitz force with gapped metals
M. Boström, M. Rizwan Khan, H. R. Gopidi +4
The Casimir-Lifshitz interaction, a long-range force that arises between solids and molecules due to quantum fluctuations in electromagnetic fields, has been widely studied in soli…
Physics of band-filling correction in defect calculations of solid-state materials
Harshan Reddy Gopidi, Lovelesh Vashist, Oleksandr I. Malyi
In solid-state physics/chemistry, a precise understanding of defect formation and its impact on the electronic properties of wide-bandgap insulators is a cornerstone of modern semi…
Noble gas functional defect with unusual relaxation pattern in solids
Lovelesh, Harshan Reddy Gopidi, Muhammad Rizwan Khan +1
The conventional understanding has always been that noble gases are chemically inert and do not affect materials properties. This belief has led to their use as a standard referenc…
Optical Properties and Electronic Structures of Intrinsic Gapped Metals: Inverse Materials Design Principles for Transparent Conductors
Muhammad Rizwan Khan, Harshan Reddy Gopidi, Oleksandr I. Malyi
Traditional solid-state physics has long correlated the optical properties of materials with their electronic structures. However, recent discoveries of intrinsic gapped metals hav…
Spontaneous off-stoichiometry as the knob to control dielectric properties of gapped metals
Muhammad Rizwan Khan, Harshan Reddy Gopidi, Hamid Reza Darabian +2
Using the first-principles calculations and La3Te4 as an example of an n-type gapped metal, we demonstrate that gapped metals can develop spontaneous defect formation resulting in…