新型碳、硅和锗亚稳材料具有潜在的应用前景，对这些亚稳相的结构、相变规律和性能进行研究具有重要的科学意义。采用CALYPSO和CASTEP程序对新型C、Si和Ge亚稳相进行晶体结构设计，对可能存在的C、Si和Ge的新结构进行系统研究，并进一步对这些亚稳相的能带结构、电子态密度、力学性质、光学性质、相变规律等进行理论预测。用C60、碳纳米管、非晶硅和锗为原料，采用Rocklend T25压机，在高温高压下合成新型C、Si和Ge亚稳相，系统地研究压力、温度、卸压速率和介质材料对C、Si和Ge亚稳相形成的影响规律。采用XRD、TEM和拉曼光谱等对所合成的新型C、Si和Ge亚稳相的晶体结构、价键结构进行测定，采用物理性能综合测试系统(PPMS)等对所合成的新型C、Si和Ge晶体的光学、电学、热学等性质进行测试，研究新型C、Si和Ge亚稳相的结构对其功能性质的影响。

Novel metastable C,Si and Ge materials have potential applications,so,it has important scientific significance to research their structures, phase transitions and properties. The crystal structures of novel metastable C, Si and Ge phases will be designed by CALYPSO and CASTEP programs. The possible new structures of C,Si and Ge will be systematically investigated. Furthermore, the band structures, densities of state of electrons, mechanical properties, optical properties and the phase transformations of the new metastable phases will be predicted. Taking C60, carbon nanotubes, amorphous silicon and germanium as raw materials, new C， Si and Ge metastable phases will be synthesized under high pressure and high temperature by Rocklend T25 press. The effects of pressure, temperature, unloading rate and medium materials on the formation of metastable C, Si and Ge phases will be researched systematically. The crystal structures bond properties of the synthesized new C, Si and Ge crystals will be detected by XRD, TEM and Raman spectroscopy. The optical, electrical, thermal and other properties of new C, Si and Ge phases will be mesured by Physical Property Measurement System （PPMS）,etc.. Effects of crystal structures of the new C,Si and Ge phases on their functional properties will be studied.