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BAND OFFSETS IN GaN/AlN AND AlN/SiC HETEROJUNCTIONS

机译：GaN / AlN和AlN / SiC异质结中的能带偏移

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We have investigated the structural trends of the band offsets in GaN/AlN and AlN/SiC heterojunctions using the ab initio pseudopotential method. In the zincblende GaN/AlN (100), (110), and (111) heterojunctions, the band offsets are relatively insensitive to interface orientation. Bulk strain effects, however, can modify the offset by as much as 0.4 eV in coherently strained AIN/GaN and GaN/AlN (100) junctions. The band alignment in the heterovalent AlN/SiC (110) and (111) heterojunctions depends on the geometry and stoi-chiometry of the interface. Valence band offsets as high as 2.5 eV are obtained for neutral AlN/SiC(lll) junctions with a mixed Al/Si interface layer and as low as 1.3 eV with a mixed N/C layer. Atomic relaxation plays a major role in determining the offset. The change from zincblende (111) to wurtzite (0001) crystal structure in GaN/AlN and AlN/SiC heterojunctions selectively affects the conduction band offset, and has only a minor influence on the valence discontinuity.

机译：我们使用从头算伪电位方法研究了GaN / AlN和AlN / SiC异质结中带隙的结构趋势。在闪锌矿GaN / AlN（100），（110）和（111）异质结中，带隙对界面取向相对不敏感。然而，体相应变效应可以在相干应变的AIN / GaN和GaN / AlN（100）结中将偏移量修改多达0.4 eV。异质AlN / SiC（110）和（111）异质结中的能带排列取决于界面的几何形状和立体化学计量。对于具有混合的Al / Si界面层的中性AlN / SiC（III）结，可获得高达2.5eV的价带偏移，而对于混合的N / C层，可获得低至1.3eV的价带偏移。原子弛豫在确定偏移量中起主要作用。 GaN / AlN和AlN / SiC异质结中的闪锌矿（111）晶体向纤锌矿（0001）晶体结构的变化有选择地影响了导带偏移，对价态不连续性的影响很小。

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《Nitride semiconductors》|1997年|911-916|共6页
会议地点 Boston MA(US)
作者
NADIA BINGGELI; PHILIPPE FERRARA; ALFONSO BALDERESCHI;
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作者单位

Institut de Physique Appliquee, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne, Switzerland;

Biochemisches Institut der Universitat Zurich, CH-8057 Zurich, Switzerland;

Institut de Physique Appliquee, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne, Switzerland;

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1. STABILITY AND BAND OFFSETS OF POLAR GAN/SIC(001) AND ALN/SIC(001) INTERFACES [J] . Stadele M., Vogl P., Majewski JA. Physical Review, B. Condensed Matter . 1997,第11期

机译：极性GAN / SIC（001）和ALN / SIC（001）界面的稳定性和带隙
2. ELECTRONIC STRUCTURES, AND BAND OFFSETS OF HETEROCRYSTALLINE SUPERLATTICES (3C-ALN)(3N)/(2H-ALN)(2N) AND (3C-SIC)(3N)/(2H-SIC)(2N) (N=1,2,3) [J] . Ke SH., Zhang KM., Xie XD., Physical Review, B. Condensed Matter . 1996,第12期

机译：杂晶超晶格（3C-ALN）（3N）/（2H-ALN）（2N）和（3C-SIC）（3N）/（2H-SIC）（2N）的电子结构和能带偏移（N = 1,2 ，3）
3. Hybrid functional investigation of band offsets for non-polar, Ga-polar and Al-polar interfaces in GaN/AlN heterojunction [J] . Kaewmeechai Chaiyawat, Laosiritaworn Yongyut, Jaroenjittichai Atchara Punya Journal of Physics. Condensed Matter . 2021,第3期

机译：GaN / Aln异质结中非极性，GA极和AL极界面带偏移的混合功能研究
4. BAND OFFSETS IN GaN/AlN AND AlN/SiC HETEROJUNCTIONS [C] . Symposium on nitride semiconductors . 1998

机译：GaN / Aln和Aln / Sic Heterojunctions的乐队抵消
5. MOCVD optimization and characterization of AlN for the development of an AlN/SiC {lcub}p/pn{rcub} heterojunction UV detector. [D] . Wilson Thomas, Sylvia L. 1999

机译：用于开发AlN / SiC {lcub} p / pn {rcub}异质结紫外检测器的MOCVD优化和AlN表征。
6. Band offsets of non-polar A-plane GaN/AlN and AlN/GaN heterostructures measured by X-ray photoemission spectroscopy [O] . Ling Sang, Qin Sheng Zhu, Shao Yan Yang, 2014

机译：X射线光发射光谱法测量的非极性A面GaN / AlN和AlN / GaN异质结构的能带偏移
7. The Static Properties of AlN and GaN,and the Valence-band ofFsets of AlN/GaN Heterojunction [O] . 何国敏, 郑永梅, 王仁智 1997

机译：AlN和GaN的静态特性以及AlN / GaN异质结的Fset的价带

BAND OFFSETS IN GaN/AlN AND AlN/SiC HETEROJUNCTIONS

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