activity
20042025
most citedVan der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

1.2k citations · 4.1k across the 42 of their papers we have counts for

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Showing 2020Show all

5 papers · 1 filter

cond-mat.mtrl-sci2020★ 2 cited

Tuning Fermi Levels in Intrinsic Antiferromagnetic Topological Insulators MnBi2Te4 and MnBi4Te7 by Defect Engineering and Chemical Doping

Mao-Hua Du, Jiaqiang Yan, Valentino R. Cooper +1

MnBi2Te4 and MnBi4Te7 are intrinsic antiferromagnetic topological insulators, offering a promising materials platform for realizing exotic topological quantum states. However, high…

cond-mat.mtrl-sci2020

Predicting the phase stability of multi-component high entropy compounds

Krishna Chaitanya Pitike, Santosh KC, Markus Eisenbach +2

A generic method to estimate the relative feasibility of formation of high entropy compounds in a single phase, directly from first principles, is developed. As a first step, the r…

cond-mat.mtrl-sci2020★ 104 cited

Tuning Magnetic Order in the van der Waals Metal Fe5GeTe2 by Cobalt Substitution

Andrew F. May, Mao-Hua Du, Valentino R. Cooper +1

Fe5-xGeTe2 is a van der Waals material with one of the highest reported bulk Curie temperatures, ~ 310K. In this study, theoretical calculations and experiments are utilized…

cond-mat.mtrl-sci2020★ 1 cited

On the Elastic Anisotropy of the Entropy-Stabilized Oxide (Mg, Co, Ni, Cu, Zn)O

Krishna Chaitanya Pitike, Andres Marquez-Rossy, Alexis Flores-Betancourt +4

In this paper, we study the elastic properties of the entropy-stabilized oxide (Mg, Co, Ni, Cu, Zn)O, using experimental and first principles techniques. Our measurements of the in…

cond-mat.mtrl-sci2020★ 36 cited

Unexpected crystalline homogeneity from the disordered bond network in La(Cr0.2Mn0.2Fe0.2Co0.2Ni0.2)O3 films

Matthew Brahlek, Alessandro R. Mazza, Krishna Chaitanya Pitike +5

Designing and understanding functional electronic and magnetic properties in perovskite oxides requires controlling and tuning the underlying crystal lattice. Here we report the st…