在改進(jin)過(guo)(guo)的(de)氮化鋁(lv)(AlN)/石(shi)墨(mo)(mo)烯(xi)(xi)(xi)復合襯底(di)上(shang)(shang)生(sheng)長可轉移GaN外(wai)延(yan)(yan)層(ceng)。本研(yan)究采用基于密(mi)度泛函理論的(de)第(di)一(yi)性(xing)原理計(ji)算方法進(jin)行理論計(ji)算，進(jin)一(yi)步研(yan)究了石(shi)墨(mo)(mo)烯(xi)(xi)(xi)上(shang)(shang)AlN的(de)形(xing)成(cheng)機理。AlN通(tong)(tong)(tong)過(guo)(guo)其(qi)最(zui)佳成(cheng)核(he)位點選(xuan)擇性(xing)地在石(shi)墨(mo)(mo)烯(xi)(xi)(xi)上(shang)(shang)生(sheng)長，從而導致AlN通(tong)(tong)(tong)過(guo)(guo)準(zhun)范德華外(wai)延(yan)(yan)在石(shi)墨(mo)(mo)烯(xi)(xi)(xi)上(shang)(shang)選(xuan)擇性(xing)成(cheng)核(he)。因此(ci)，利(li)用金屬有機化學氣相沉積(ji)的(de)時間(jian)分布和恒壓(ya)生(sheng)長方法，在石(shi)墨(mo)(mo)烯(xi)(xi)(xi)和GaN之間(jian)創新(xin)性(xing)地插入(ru)了AlN復合成(cheng)核(he)層(ceng)。此(ci)外(wai)，通(tong)(tong)(tong)過(guo)(guo)克(ke)服石(shi)墨(mo)(mo)烯(xi)(xi)(xi)與外(wai)延(yan)(yan)…