6 papers
A Fixed-Point Neural Operator for Size- and Functional-Transferable Hamiltonian Prediction
Yunhong Lou, Xihang Yue, Xinran Wei +2
Predicting the Kohn-Sham Hamiltonian with machine learning can accelerate density functional theory while retaining access to molecular orbitals, energy levels, and electronic-stru…
Dissipation-driven topological phase transitions in open quantum systems independent of system Hamiltonian
Tian-Shu Deng, Fan Yang
We investigate dissipation-driven topological phase transitions in one-dimensional quantum open systems governed by the Lindblad equation with linear dissipation operators, which e…
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
Masato Ohnishi, Tianqi Deng, Pol Torres +16
Understanding the anharmonic phonon properties of crystal compounds -- such as phonon lifetimes and thermal conductivities -- is essential for investigating and optimizing their th…
Phonon-Dominated Thermal Transport and Large Violation of the Wiedemann-Franz Law in Topological Semimetal CoSi
Luyao Zhong, Xin Jin, Mingquan He +4
The Wiedemann-Franz (WF) law, relating the electronic thermal conductivity () to the electrical conductivity, is vital in numerous applications such as in the design of…
Evolution from Topological Dirac Metal to Flat-band-Induced Antiferromagnet in Layered KxNi4S2 (0<=x<=1)
Hengdi Zhao, Xiuquan Zhou, Hyowon Park +17
Condensed matter systems with coexisting Dirac cones and flat bands, and a switchable control between them within a single system, are desirable but remarkably uncommon. Here we re…
Catalogue of chiral phonon materials
Yue Yang, Zhenyu Xiao, Yu Mao +9
Chiral phonons, circularly polarized lattice vibrations carrying intrinsic angular momentum, offer unprecedented opportunities for controlling heat flow, manipulating quantum state…