CAJ | 학술논문

采用基于密度泛函理论的第一性原理赝势法，研究了Al掺杂对于MgO保护层电子结构的影响。采用Hagstrum’s 理论计算了在不同放电气体环境下，不同Al掺杂比例的Mg1-xAlxO的能带结构和态密度分布，分别获得了基于俄歇中和和俄歇退激理论的二次电子发射系数。结果表明，Al掺杂MgO能有效提高二次电子发射系数，且在氦气环境下二次电子发射系数的提高尤为显著。当Al掺杂比例为0.375时，在氦气环境下基于俄歇中和和俄歇退激理论的二次电子发射系数最大，分别为0.4191和0.4316(纯MgO为0.3543、0.4060)。
채용기우밀도범함이론적제일성원리안세법，연구료Al참잡대우MgO보호층전자결구적영향。채용Hagstrum’s 이론계산료재불동방전기체배경하，불동Al참잡비례적Mg1-xAlxO적능대결구화태밀도분포，분별획득료기우아헐중화화아헐퇴격이론적이차전자발사계수。결과표명，Al참잡MgO능유효제고이차전자발사계수，차재양기배경하이차전자발사계수적제고우위현저。당Al참잡비례위0.375시，재양기배경하기우아헐중화화아헐퇴격이론적이차전자발사계수최대，분별위0.4191화0.4316(순MgO위0.3543、0.4060)。
In this work, a first-principle calculation method is introduced to analyze the secondary emission coefficient of Mg1-xAlxO protective layer of a plasma display panel (AC PDP). The band gaps and the electronic structures of pure MgO and Mg1-xAlxO layers with different Al doping ratios are calculated based on Hagstrum’s theory. The secondary electron emission coefficient of Mg1-xAlxO layers in various gases environments based on Auger neutralization and Auger de-excitation are obtained. The calculated results show the secondary electron emission coefficient of Mg1-xAlxO layer is higher than that of pure MgO, especially in helium environment. When Al doping ratio is 0.375, the secondary electron emission coefficient in He based on Auger neutralization and Auger de-excitation theory is 0.4191 and 0.4316, respectively, compared with pure MgO of 0.3543 and 0.4060. Thus, using an Mg1-xAlxO protective layer is an effective method to improve the secondary electron emission coefficient of AC PDP.