The invention relates to an N-type diamond semiconductor monocrystal and a production method thereof. The crystal contains nitrogen ions, lithium ions and beryllium ions regularly arrayed in the crystal, wherein the total content of nitrogen-lithium atom pairs, nitrogen-beryllium atom pairs and lithium-nitrogen-beryllium atom pairs is 100-10000ppm, the size of the semiconductor monocrystal is 0.3-10mm, and the crystal is a regular hexahedron, a regular octahedron or a hexahedron-octahedron. The production method comprises the following steps of: mixing graphite powder, a metal catalyst, lithium nitride and beryllium nitride in proportion, pressurizing to 100-300MPa to carry out cold isostatic pressing treatment, relieving the pressure, then breaking the mixed materials, placing the broken mixed materials into a mold to press to form columnar synthetic columns, sintering in vacuum, filling synthetic blocks, and processing in a high-temperature high-pressure oriented magnetic field; breaking the synthetic columns, performing electrolysis and separating by using a shaker to obtain the N-type diamond semiconductor monocrystal. The monocrystal provided by the invention is good in conductivity, high in optical-to-thermal energy conversion efficiency, suitable for manufacturing solar batteries, LED (Light Emitting Diode) sources and high-performance chips, and stable in performance.