We theoretically study the structural, elastic and optical properties of Er Pd Bi together with its anisotropic behaviors using density functional theory. It is observed that Er Pd Bi satisfies the Born stability crit...We theoretically study the structural, elastic and optical properties of Er Pd Bi together with its anisotropic behaviors using density functional theory. It is observed that Er Pd Bi satisfies the Born stability criteria nicely and possesses high quality of machinability. The anisotropic behavior of Er Pd Bi is reported with the help of theoretical anisotropy indices incorporating 3 D graphical presentation, which suggests that Er Pd Bi is highly anisotropic in nature. It is noticed that the minimum thermal conductivity is very low for Er Pd Bi compared to the several species. This low value of minimum thermal conductivity introduces the potentiality of Er Pd Bi in high-temperature applications such as thermal barrier coatings.In addition, deep optical insights of Er Pd Bi reveal that our material can be used in different optoelectronic and electronic device applications ranging from organic light-emitting diodes, solar panel efficiency, waveguides etc. to integration of integrated circuits. Therefore, we believe that our results will provide a new insight into high-temperature applications and will benefit for the development of promising optoelectric devices as well.展开更多
文摘We theoretically study the structural, elastic and optical properties of Er Pd Bi together with its anisotropic behaviors using density functional theory. It is observed that Er Pd Bi satisfies the Born stability criteria nicely and possesses high quality of machinability. The anisotropic behavior of Er Pd Bi is reported with the help of theoretical anisotropy indices incorporating 3 D graphical presentation, which suggests that Er Pd Bi is highly anisotropic in nature. It is noticed that the minimum thermal conductivity is very low for Er Pd Bi compared to the several species. This low value of minimum thermal conductivity introduces the potentiality of Er Pd Bi in high-temperature applications such as thermal barrier coatings.In addition, deep optical insights of Er Pd Bi reveal that our material can be used in different optoelectronic and electronic device applications ranging from organic light-emitting diodes, solar panel efficiency, waveguides etc. to integration of integrated circuits. Therefore, we believe that our results will provide a new insight into high-temperature applications and will benefit for the development of promising optoelectric devices as well.
