Obtaining highly transferable parameters for empirical tight-binding simulations: From pure materials to polytypic heterostructures and dilute alloys

IF 3.7 2区物理与天体物理 Q1 Physics and Astronomy

Physical Review B Pub Date : 2025-10-16 DOI:10.1103/g9cz-c3js

Anh-Luan Phan, Daniele Soccodato, Alessandro Pecchia, Alessia Di Vito, Matthias Auf der Maur

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获得经验紧密结合模拟的高度可转移参数：从纯材料到多型异质结构和稀合金

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来源期刊

Physical Review B 物理-物理：凝聚态物理

CiteScore

6.70

自引率

32.40%

发文量

审稿时长

3.0 months

期刊介绍： Physical Review B (PRB) is the world’s largest dedicated physics journal, publishing approximately 100 new, high-quality papers each week. The most highly cited journal in condensed matter physics, PRB provides outstanding depth and breadth of coverage, combined with unrivaled context and background for ongoing research by scientists worldwide. PRB covers the full range of condensed matter, materials physics, and related subfields, including: -Structure and phase transitions -Ferroelectrics and multiferroics -Disordered systems and alloys -Magnetism -Superconductivity -Electronic structure, photonics, and metamaterials -Semiconductors and mesoscopic systems -Surfaces, nanoscience, and two-dimensional materials -Topological states of matter