The P_(S) defect is obtained by replacing one S atom with one P atom in the wide-bandgap semiconductor Mg S.Based on first-principles calculations,the formation energy,defect levels,and electronic structure of the PSd...The P_(S) defect is obtained by replacing one S atom with one P atom in the wide-bandgap semiconductor Mg S.Based on first-principles calculations,the formation energy,defect levels,and electronic structure of the PSdefect in different charge states are evaluated.We predict that the neutral P^(0)_(S)and positively charged P^(+1)_(S)are the plausible qubit candidates for the construction of quantum systems,since they maintain the spin conservation during optical excited transition.The zero-phonon lines at the P^(0)_(S)and P^(+1)_(S)defects are 0.43 e V and 0.21 e V,respectively,which fall in the infrared band.In addition,the zero-field splitting parameter D of the P^(+1)_(S)with spin-triplet is 2920 MHz,which is in the range of microwave,showing that the P^(+1)_(S)defect can be manipulated by microwave.Finally,the principal values of the hyperfine tensor are examined,it is found that they decay exponentially with the distance from the defect site.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant No.12164020)the Natural Science Foundation of Jiangxi Province,China(Grant No.20202BAB201012)。
文摘The P_(S) defect is obtained by replacing one S atom with one P atom in the wide-bandgap semiconductor Mg S.Based on first-principles calculations,the formation energy,defect levels,and electronic structure of the PSdefect in different charge states are evaluated.We predict that the neutral P^(0)_(S)and positively charged P^(+1)_(S)are the plausible qubit candidates for the construction of quantum systems,since they maintain the spin conservation during optical excited transition.The zero-phonon lines at the P^(0)_(S)and P^(+1)_(S)defects are 0.43 e V and 0.21 e V,respectively,which fall in the infrared band.In addition,the zero-field splitting parameter D of the P^(+1)_(S)with spin-triplet is 2920 MHz,which is in the range of microwave,showing that the P^(+1)_(S)defect can be manipulated by microwave.Finally,the principal values of the hyperfine tensor are examined,it is found that they decay exponentially with the distance from the defect site.
