Modeling higher-order lattice anharmonicity
Web14 jan. 2024 · Modeling higher-order lattice anharmonicity. Thermal conductivity ( κ) is a transport coefficient that describes heat flows in materials. This property is crucial to … Web25 mei 2024 · Dong-Bo Zhang Abstract and Figures We investigated the vibrational property of lead telluride (PbTe) with a focus on lattice anharmonicity at moderate temperatures (300<800 K) using the...
Modeling higher-order lattice anharmonicity
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Web6 jan. 2024 · Here, to capture the anharmonicity in phonon interactions, we incorporate a structural parameter that allows the model to predict κ L within a factor of 1.5 of the … Web11 apr. 2024 · Hadronic light-by-light scattering is one of the virtual processes that causes the gyromagnetic factor g of the muon to deviate from the value of two predicted by Dirac’s theory. This process makes one of the largest contributions to the uncertainty of the Standard Model prediction for the muon (g − 2). Lattice QCD allows for a first-principles …
Web7 apr. 2024 · In this paper, we provide evidence of the higher-than-fourth-order lattice anharmonicity in zone-center optical phonon linewidths as well as Raman and infrared … Web13 sep. 2024 · Accurately describing the lattice dynamics and microscopic mechanism of thermal transport in materials with low-lying flat phonon modes remains an outstanding …
Web1 mrt. 2024 · As shown in Ref. [31], high-order lattice anharmonicity can induce high-order phonon-phonon scattering, which provides additional phonon-scattering channels and increases the total phonon ... Web11 sep. 2024 · Cu 4 Bi 4 Se 9 exhibits an extremely low lattice thermal conductivity of about 0.29–0.35 W m –1 K –1 that is mainly ascribed to the high lattice anharmonicity coming from the synergistic effect of the crystal structure complexity, soft Cu–Se bonds with lower bonding energy, rattling of the Cu atoms, and the high anharmonicity of Bi atoms …
WebThe lattice anharmonicity and subsequent asymmetric shift of the equilibrium phonon coordinate have two main effects: (1) the model may allow a new type of kinetic- energy driven superconductivity to emerge [4] and (2) the effective electron-electron attraction is dramatically re- duced as can be seen by a plot of the bipolaron binding energy in …
Web9 dec. 2024 · The latter was theoretically modelled as a third-order anharmonic Hamiltonian considering three-phonon interactions, which reads as: 22,23 (1) Here λk,k′ is the phonon–phonon coupling, lk and ak′ represent the quantum operators that destroy optical and acoustic phonons respectively. magnolia and steel scottsville kyWeb6 apr. 2024 · The predicted strong fourth-order lattice anharmonicity results from the large four-phonon scattering phase space of zone-center optical phonons. It explains well the … cpt ovarian cancer stagingWebWidely used modeling approaches are based either on molecular dynamics (MD) or anharmonic lattice dynamics (ALD). MD-based methods are, in principle, more general … magnolia and vine compensation planWeb1 jan. 2024 · Compressive sensing lattice dynamics was used to construct higher-order anharmonic interatomic force constants. By applying the model to 19 binary rocksalt … magnolia and vine belmont ncWebMy research focus is in the Computational Materials Science (Ph.D., Physics) along with the experience of Exploratory Data Analysis, … cpt piacenzaWeb9 feb. 2024 · Materials Engineering Anisotropy B-Site Columnar-Ordered Halide Double Perovskites: Breaking Octahedra Motions Induces Strong Lattice Anharmonicity and Thermal Anisotropy February 2024 DOI:... magnolia and vine jewelry catalogWeb30 aug. 2024 · Study an effect of higher order anharmonicity to the lattice thermal conductivity by first principle molecular dynamics August 2024 DOI: 10.14457/TU.the.2024.1020 cpt peroneal tendoscopy