Inelastic x-ray scattering shows soft phonons at the L-point drive the CDW in KV3Sb5 via momentum-dependent EPC, with anisotropy opposing that of electronic susceptibility.
Giustino ,\ 10.1103/RevModPhys.89.015003 journal journal Rev
4 Pith papers cite this work. Polarity classification is still indexing.
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A variational ab initio framework for electron and hole polarons that couples to all phonons, formulated as a nonlinear eigenvalue problem in Kohn-Sham and phonon bases and demonstrated on LiF and Li2O2 without supercells.
First-principles study of designed LiMgZr2H12 predicts ambient-pressure Tc of 72.76 K and 5.36 wt% gravimetric hydrogen storage.
Exact vs. restricted particle-hole dynamics in graphene flakes after optical quench shows periodic structures captured by low-order excitations but confined ones require higher-order contributions, positioning the setup as a quantum-computing benchmark.
citing papers explorer
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Ab initio theory of polarons: formalism and applications
A variational ab initio framework for electron and hole polarons that couples to all phonons, formulated as a nonlinear eigenvalue problem in Kohn-Sham and phonon bases and demonstrated on LiF and Li2O2 without supercells.
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Ambient and Pressure Dependent Superconductivity with Hydrogen Storage Potential in Quaternary Hydride LiMgZr2H12: A Comprehensive First-principles Insights
First-principles study of designed LiMgZr2H12 predicts ambient-pressure Tc of 72.76 K and 5.36 wt% gravimetric hydrogen storage.
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Interaction-driven dynamics in graphene flakes as a benchmark for quantum simulation
Exact vs. restricted particle-hole dynamics in graphene flakes after optical quench shows periodic structures captured by low-order excitations but confined ones require higher-order contributions, positioning the setup as a quantum-computing benchmark.