论文标题
通过压力和温度调节，揭示选择规则对声子散射的隐藏影响
Exposing the hidden influence of selection rules on phonon-phonon scattering by pressure and temperature tuning
论文作者
论文摘要
使用从头算计算，我们表明，可以通过压力（$ p $）（$ p $）和温度（$ t $）依赖导热电导率的$κ$的某些化合物的依赖性在压力（$ p $）和温度（$ t $）的依赖性中暴露出选择规则对三个子散射的隐藏影响。硼磷化物通过$κ$的异常急剧初始上升来揭示这种潜在的行为，而$ p $增加，这可能是任何材料中最陡峭的峰值，也是峰值和$κ$在高$ p $下的$κ$。这些特征与许多固体的测量行为形成鲜明对比，并且发生在实验可访问的条件下。预测碳化硅和其他相关材料的类似异常行为。
Using ab initio calculations, we show that the hidden influence of selection rules on three-phonon scattering can be exposed through anomalous signatures in the pressure ($P$) and temperature ($T$) dependence of the thermal conductivities, $κ$, of certain compounds. Boron phosphide reveals such underlying behavior through an exceptionally sharp initial rise in $κ$ with increasing $P$, which may be the steepest of any material, and also a peak and decrease in $κ$ at high $P$. These features are in stark contrast to the measured behavior for many solids, and occur at experimentally accessible conditions. Similar anomalous behavior is predicted for silicon carbide and other related materials.
