中文摘要：

在压力6.0 GPa和温度1600 K条件下,利用温度梯度法研究了（111）晶面硼氢协同掺杂Ib型金刚石的合成.傅里叶红外光谱测试表明：氢以sp3杂化的形式存在于所合成的金刚石中,其对应的红外特征吸收峰位分别位于2850 cm（-1）和2920 cm（-1）处.此外,霍尔效应测试结果表明：所合成的硼氢协同掺杂金刚石具有p型半导体材料特性.相对于硼掺杂金刚石而言,由于氢的引入导致硼氢协同掺杂金刚石电导率显著提高.为了揭示硼氢协同掺杂金刚石电导率提高的原因,对不同体系进行了第一性原理理论计算,计算结果表明其与实验结果符合.该研究对金刚石在半导体领域的应用有重要的现实意义.

英文摘要：

Diamond is well known for its excellent properties,such as its hardness,high thermal conductivity,high electron and hole mobility,high breakdown field strength and large band gap（5.4 eV）,which has been extensively used in many fields.However,its application in semiconductor area needs to be further understood,because it is irreplaceable by conventional semiconductor materials,especially in the extreme working conditions.In order to obtain diamond semiconductor with excellent electrical performances,diamond crystals co-doped with boron（B） and hydrogen（H） are synthesized in an Fe Ni-C system by temperature gradient growth at pressure 6.0 GPa and temperature 1600 K.Fourier infrared spectra measurements displayed that H is the formation of sp~3-CH_2-antisymmetric and sp~3-CH_2-symmetric vibrations in the obtained diamond.Furthermore,the corresponding absorption peaks of H element are located at 2920 cm~（-1） and 2850 cm~（-1）,respectively.Hall effects measurements demonstrated that the co-doped diamond exhibited that p-type material semiconductor performance,and the conductivity of the co-doped diamond is significantly enhanced comparing tocompared with the conductivity of the B-doping diamond.The results indicated that the Hall mobility mobilities is nearly equivalent between B-doped and co-doped diamond crystals are nearly equivalent,while the concentrations of the carriers and conductivity of the co-doped diamonds are higher than those of the B-doped diamond crystals.It is also noticed that the nitrogen concentration of the co-doped diamond decreases obviously,when the H and B are introduced into the diamond structure.Additionally,the change of the conductivity is investigated by first-principles calculation.In the B-doping diamond,two impurity levels are located in the forbidden band with small gaps.These impurity states above the Fermi level can trap the photo-excited electrons,while those below Fermi level can trap the photo-excited vacancies,improving the transfer of the photo-excited carrier