Heat transport in silicon from first-principles calculations

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Items 301–400 of 758

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7. First-principles prediction of thermal conductivity of bulk hexagonal boron nitride
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8. Length-dependent lattice thermal conductivity of single-layer and multilayer hexagonal boron nitride: A first-principles study using the Callaway-Klemens and real-space supercell methods
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9. Perspective on multi-scale simulation of thermal transport in solids and interfaces
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10. Tuning thermal conductance across sintered silicon interface by local nanostructures
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11. Non-diffusive thermal transport in GaAs at micron length scales
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12. Phonon transport analysis of silicon germanium alloys using molecular dynamics simulations
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13. Surface scattering controlled heat conduction in semiconductor thin films
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14. Ultrahigh thermal conductivity of isotopically enriched silicon
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15. Designing thermal functional materials by coupling thermal transport calculations and machine learning
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21. Research Update: Phonon engineering of nanocrystalline silicon thermoelectrics
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31. First-principles study of thermal transport in FeSb2
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34. Ab initio determination of ultrahigh thermal conductivity in ternary compounds
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35. Electric field effect on the thermal conductivity of wurtzite GaN
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36. Giant Isotope Effect of Thermal Conductivity in Silicon Nanowires
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37. Effect of crystallinity and thickness on thermal transport in layered PtSe2
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38. Lattice thermal conductivity of crystalline and amorphous silicon with and without isotopic effects from the ballistic to diffusive thermal transport regime
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39. Microscopic understanding of the in-plane thermal transport properties of 2H transition metal dichalcogenides
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40. Anomalous lattice thermal conductivity increase with temperature in cubic GeTe correlated with strengthening of second-nearest neighbor bonds
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41. Nanostructured Thermoelectric Materials
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42. Thermal conduction in Si and SiGe phononic crystals explained by phonon mean free path spectrum
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43. Impact of thermally dead volume on phonon conduction along silicon nanoladders
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44. First principles study of thermal conductivity cross-over in nanostructured zinc-chalcogenides
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45. Geometric tuning of thermal conductivity in three-dimensional anisotropic phononic crystals
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46. First-principles study of thermoelectric transport properties in low-buckled monolayer silicene
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47. Thermal conductivity of CaSiO 3 perovskite at lower mantle conditions
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48. Tunable thermal conductivity of thin films of polycrystalline AlN by structural inhomogeneity and interfacial oxidation
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49. Role of phonon dispersion in studying phonon mean free paths in skutterudites
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50. Origins of significant reduction of lattice thermal conductivity in graphene allotropes
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51. A Simple Boltzmann Transport Equation for Ballistic to Diffusive Transient Heat Transport
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52. Thermal conductivity of bulk nanostructured lead telluride
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53. Unifying first-principles theoretical predictions and experimental measurements of size effects in thermal transport in SiGe alloys
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54. Phonon transmission across Mg2Si/Mg2Si1−xSnx interfaces: A first-principles-based atomistic Green's function study
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55. Lattice dynamics and thermal conductivity of calcium fluoride via first-principles investigation
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56. An efficient two-step Monte Carlo method for heat conduction in nanostructures
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57. Thermal Conductivity of Carbon Nanotubes and Assemblies
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58. Reduced thermal conductivity of epitaxial GaAs on Si due to symmetry-breaking biaxial strain
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59. Thermoelectric properties of topological insulator lanthanum phosphide via first-principles study
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60. Influence of quartic anharmonicity on lattice dynamics and thermal transport properties of 16 antifluorite structures
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61. Dynamical thermal conductivity of bulk semiconductor crystals
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62. The intrinsic low lattice thermal conductivity in the rock salt SnSe
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63. Thermal conductivity of hexagonal Si, Ge, and Si1-xGex alloys from first-principles
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64. Enhancement and anticipation of the Ioffe–Regel crossover in amorphous/nanocrystalline composites
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66. Estimates of crystalline LiF thermal conductivity at high temperature and pressure by a Green-Kubo method
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67. Machine-Learning-Based Thermal Conductivity Prediction for Additively Manufactured Alloys
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70. Temperature in a Peierls-Boltzmann treatment of nonlocal phonon heat transport
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71. Roles of Point Defects in Thermal Transport in Perovskite Barium Stannate
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73. Evidence of fifth- and higher-order phonon scattering entropy of zone-center optical phonons
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91. Approaching the alloy limit of thermal conductivity in single-crystalline Si-based thermoelectric nanocomposites: A molecular dynamics investigation
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92. Monte Carlo Simulations of Thermal Conductivity in Nanoporous Si Membranes
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93. Thermoelectric properties of rocksalt ZnO from first-principles calculations
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94. Slave mode expansion for obtaining ab initio interatomic potentials
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97. Drastic effects of vacancies on phonon lifetime and thermal conductivity in graphene
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99. Engineering thermal transport in SiGe-based nanostructures for thermoelectric applications
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100. Thermal conductivity from phonon quasiparticles with subminimal mean free path in the MgSiO3 perovskite
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