3 papers
cond-mat.supr-con2026
Metal hydrides achieve high-Tc superconductivity at low pressure by mimicking high-pressure H3S chemical bonding
Wendi Zhao, Shumin Guo, Chengda Li +4
Compressed hydrides are promising candidates for high-temperature superconductivity, yet achieving simultaneous structural stability and high-Tc at low pressures remains challengin…
cond-mat.mtrl-sci2025
Non-local Chemistry Driven by Cation-Anion Size Disparity in Helium Inserted Compounds under High Pressure
Zhen Liu, Stefano Raciopp, Katerina P. Hilleke +6
Opposing the theory that Helium (He) cannot be inserted into AB-type ionic compounds due to the Madelung energy increase, our crystal structure search and first-principles calculat…
cond-mat.mtrl-sci2025
First-principles calculation of higher-order elastic constants from divided differences
Ruvini Attanayake, Umesh C. Roy, Abhiyan Pandit +1
A method is presented to calculate from first principles the higher-order elastic constants of a solid material. The method relies on finite strain deformations, a density function…