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Tailoring acoustoelastic, piezoelectric and thermal properties of Janus GeC sheets
Physica E: Low-dimensional Systems and Nanostructures ( IF 3.3 ) Pub Date : 2021-01-11 , DOI: 10.1016/j.physe.2021.114625
K. Sadki , M.H. Kourra , L.B. Drissi

The effect of F and H dopants on the structural, elasticothermal and piezoelectric properties of Janus GeC hybrids is studied using ab-initio calculations. The large elastic regions observed reveal a high flexibility of Janus structures. A high rigidity with a hyperelastic softening behavior are observed for this class of materials making them very potential for automotive industry. Configurations where H-atoms decorate C atoms are cork materials. It is also demonstrated that ZA Grüneisen phonon mode are the main responsible of the negative value of thermal expansion. The ultralow thermal conductivity of Janus GeC structures indicate their potential application in thermoelectric devices. Therefore, the strain-engineering of hydro-fluorinated GeC would open a new avenue for potential and novel applications in nano-devices.



中文翻译:

定制Janus GeC板的声弹性,压电和热性能

利用从头算的方法研究了F和H掺杂对Janus GeC杂化材料的结构,弹性热和压电性能的影响。观察到的大弹性区域显示了Janus结构的高度柔韧性。这类材料具有很高的刚度和超弹性的软化性能,使其在汽车工业中具有很大的潜力。H原子修饰C原子的构型是软木材料。还证明了ZAGrüneisen声子模式是热膨胀负值的主要原因。Janus GeC结构的超低导热率表明其在热电设备中的潜在应用。因此,氢氟化GeC的应变工程将为纳米器件中潜在的和新颖的应用开辟新的途径。

更新日期:2021-01-22
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