scholarly journals Efficient linear scaling method for computing the thermal conductivity of disordered materials

2011 ◽  
Vol 83 (15) ◽  
Author(s):  
Wu Li ◽  
Hâldun Sevinçli ◽  
Stephan Roche ◽  
Gianaurelio Cuniberti
Keyword(s):  
Thermal Conductivity ◽  
Disordered Materials ◽  
Linear Scaling ◽  
Scaling Method

Two-channel model for ultralow thermal conductivity of crystalline Tl3VSe4

Science ◽  
2018 ◽  
Vol 360 (6396) ◽  
pp. 1455-1458 ◽  
Author(s):  
Saikat Mukhopadhyay ◽  
David S. Parker ◽  
Brian C. Sales ◽  
Alexander A. Puretzky ◽  
Michael A. McGuire ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Random Walk ◽  
Specific Heat ◽  
Thermal Barrier Coatings ◽  
Lattice Thermal Conductivity ◽  
Channel Model ◽  
Disordered Materials ◽  
Thermal Barrier ◽  
Barrier Coatings ◽  
Transport Component

Solids with ultralow thermal conductivity are of great interest as thermal barrier coatings for insulation or thermoelectrics for energy conversion. However, the theoretical limits of lattice thermal conductivity (κ) are unclear. In typical crystals a phonon picture is valid, whereas lowest κ values occur in highly disordered materials where this picture fails and heat is supposedly carried by random walk among uncorrelated oscillators. Here we identify a simple crystal, Tl3VSe4, with a calculated phonon κ [0.16 Watts per meter-Kelvin (W/m-K)] one-half that of our measured κ (0.30 W/m-K) at 300 K, approaching disorder κ values, although Raman spectra, specific heat, and temperature dependence of κ reveal typical phonon characteristics. Adding a transport component based on uncorrelated oscillators explains the measured κ and suggests that a two-channel model is necessary for crystals with ultralow κ.

Linear Scaling Method for Phonon Calculations from Electronic Structure

1995 ◽  
Vol 75 (7) ◽  
pp. 1324-1327 ◽  
Author(s):  
Pablo Ordejón ◽  
David A. Drabold ◽  
Richard M. Martin ◽  
Satoshi Itoh
Keyword(s):  
Electronic Structure ◽  
Linear Scaling ◽  
Scaling Method

THERMAL CONDUCTIVITY OF HIGH TEMPERATURE SUPERCONDUCTORS

1991 ◽  
Vol 05 (12) ◽  
pp. 2003-2035 ◽  
Author(s):  
MANUEL D. NUÑEZ REGUEIRO ◽  
DARÍO CASTELLO
Keyword(s):  
Thermal Conductivity ◽  
High Temperature ◽  
Transition Temperature ◽  
Phonon Scattering ◽  
High Temperature Superconductors ◽  
Low Energy ◽  
Disordered Materials ◽  
Superconducting Transition ◽  
Universal Pattern ◽  
Heat Carriers

We review and analyze the data on the thermal conductivity of both ceramic and single crystal samples of high temperature superconductors. A universal pattern can be extracted and interpreted in the following way: phonons are the main heat carriers in these materials, and in the high temperature range the thermal conductivity κ is almost constant due to phonon scattering against disorder; below the superconducting transition temperature κ increases as phonon scattering against carriers condensing into the superconducting state decreases and at still lower temperatures there is a region in which a T2 law is obeyed that most probably is due to resonant phonon scattering against low energy excitations, i.e. tunneling systems similar to those found in disordered materials. The origin of the relevant disorder is discussed.

Theoretical Analysis of Thermal Conductivity in Amorphous Inter-layer Dielectrics

2006 ◽  
Vol 914 ◽  
Author(s):  
Manu Shamsa ◽  
Patrick Morrow ◽  
Shriram Ramanathan
Keyword(s):  
Experimental Data ◽  
Thermal Conductivity ◽  
Thermal Transport ◽  
High Frequency ◽  
Thermal Conduction ◽  
High Performance ◽  
Amorphous Materials ◽  
Disordered Materials ◽  
Semiconductor Processing ◽  
Hopping Model

AbstractUnderstanding thermal conduction in interlayer dielectrics (ILDs) is important for the optimal design of interconnect layers in backend semiconductor processing for future high-performance nano-scale devices. Reduced thermal conductivity of porous ILDs for example can adversely affect the temperature rise in the embedded metal lines leading to un-desirable reliability issues and design constraints. In this paper, we report results of our theoretical and experimental investigation of thermal transport in amorphous and porous dielectrics. A phonon-hopping model has been adapted to calculate the thermal conductivity in disordered materials. The value of hopping integral has been calculated by comparing the modeling results with experimental data for various amorphous and porous materials. The model shows reasonable agreement with experimental data for various amorphous materials including SiO2 and other glasses over a wide temperature range from 50K – 300K. The model suggests that the hopping of localized high frequency phonons is a dominant thermal transport mechanism in such material systems.

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