34 citations · 60 across the 13 of their papers we have counts for
11 papers · 1 filter
First principles residual resistivity using locally self-consistent multiple scattering method
Vishnu Raghuraman, Markus Eisenbach, Michael Widom +1
The locally self-consistent multiple scattering (LSMS) method can perform efficient first-principles calculations of systems with large number of atoms. In this work, we combine th…
Order Parameter Engineering for Random Systems
G. Anand, Swarnava Ghosh, Markus Eisenbach
The chemical short-range order (CSRO) in the crystalline materials influences the properties and its effect is particularly important in the context of the multicomponent materials…
Monte Carlo simulation of order-disorder transition in refractory high entropy alloys: a data-driven approach
Xianglin Liu, Jiaxin Zhang, Junqi Yin +3
High entropy alloys (HEAs) are a series of novel materials that demonstrate many exceptional mechanical properties. To understand the origin of these attractive properties, it is i…
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…
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…
Machine Learning the Effective Hamiltonian in High Entropy Alloys
Xianglin Liu, Jiaxin Zhang, Markus Eisenbach +1
The development of machine learning sheds new light on the problem of statistical thermodynamics in multicomponent alloys. However, a data-driven approach to construct the effectiv…