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First-principles phonon calculations of thermal expansion in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Ti</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>SiC</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Ti</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>AlC</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Ti</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>GeC</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>
Thermal properties of ternary carbides with composition Ti3SiC2, Ti3AlC2, and Ti3GeC2 were studied using the first-principles phonon calculations. The thermal expansions, the he...
Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
The lead chalcogenides represent an important family of functional materials,\nin particular due to the benchmark high-temperature thermoelectric performance\nof PbTe. A number ...
3D charge and 2D phonon transports leading to high out-of-plane <i>ZT</i> in n-type SnSe crystals
SnSe doped a different way Heat can be converted into electricity by thermoelectric materials. Such materials are promising for use in solid-state cooling devices. A challenge f...
CAPILLARY CONDUCTION OF LIQUIDS THROUGH POROUS MEDIUMS
The flow of liquids in unsaturated porous mediums follows the ordinary laws of hydrodynamics, the motion being produced by gravity and the pressure gradient force acting in the ...
<i>Ab initio</i>variational approach for evaluating lattice thermal conductivity
We present a first-principles theoretical approach for evaluating the lattice thermal conductivity based on the exact solution of the Boltzmann transport equation. We use the va...
Publication Info
- Year
- 1989
- Type
- article
- Volume
- 70
- Issue
- 10
- Pages
- 927-930
- Citations
- 365
- Access
- Closed
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Identifiers
- DOI
- 10.1016/0038-1098(89)90630-3