117 citations · 766 across the 37 of their papers we have counts for
40 papers
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…
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…
The rise and fall of Mott insulating gaps in YNiO paramagnets as a reflection of symmetry breaking and remaking
Oleksandr I. Malyi, Alex Zunger
The YNiO nickelate is a paradigm d-electron oxide that manifests the intriguing temperature-mediated sequence of three phases transitions from (i) magnetically ordered insulato…