Critical Role of Configurational Disorder in Stabilizing Chemically Unfavorable Coordination in Complex Compounds
Han-Pu Liang,
Chuan-Nan Li,
Ran Zhou
et al.
Abstract:The crystal structure of a material is essentially determined by the nature of its chemical bonding. Consequently, the atomic coordination intimately correlates with the degree of ionicity or covalency of the material. Based on this principle, materials with similar chemical compositions can be successfully categorized into different coordination groups. However, counterexamples have recently emerged in complex ternary compounds. For instance, covalent IB-IIIA-VIA 2 compounds, such as AgInS 2 , prefer a tetrah… Show more
“…19 However, current research on pressure-dependent thermal conductivity (PDTC) has primarily focused on phonon transport and anharmonic scattering rates. 20–22 Further investigation is needed to understand how fundamental physical factors such as atomic mass, bond strength, 23,24 and electronegativity 25–28 affect PDTC. Selenides are preferred for thermal transport due to their diverse physical properties across various lattice structures.…”
The critical influence of atom size and chemical bonds on the thermal and thermoelectric properties of XSe (X = Be, Mg, Ca) compounds, considering pressure- and element-dependent anharmonicity in rocksalt and zinc blende configurations.
“…19 However, current research on pressure-dependent thermal conductivity (PDTC) has primarily focused on phonon transport and anharmonic scattering rates. 20–22 Further investigation is needed to understand how fundamental physical factors such as atomic mass, bond strength, 23,24 and electronegativity 25–28 affect PDTC. Selenides are preferred for thermal transport due to their diverse physical properties across various lattice structures.…”
The critical influence of atom size and chemical bonds on the thermal and thermoelectric properties of XSe (X = Be, Mg, Ca) compounds, considering pressure- and element-dependent anharmonicity in rocksalt and zinc blende configurations.
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