A PRIMARY STUDY ON THE FIRST-PRINCIPLES CALCULATION METHOD FOR SOLID SOLUTION ALLOY

DOI10.12288/SZJS.S2020-0705zbMath1488.82037OpenAlexW3197433914MaRDI QIDQ3381670

Xingyu Gao, Haifeng Song, Zhen Yang, Jun Fang, Limin Xu

Publication date: 29 September 2021

Full work available at URL: http://www.computmath.com/szjs/EN/10.12288/szjs.s2020-0705

zbMATH Keywords

first-principlescoherent potential approximationmultiple scattering theorysimilar atomic environmentsolid solution alloy

Mathematics Subject Classification ID

Disordered systems (random Ising models, random Schrödinger operators, etc.) in equilibrium statistical mechanics (82B44) Statistical mechanics of solids (82D20) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Basic methods in statistical mechanics (82M99)

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