Passivation and doping due to hydrogen in III-nitrides
Passivation and doping due to hydrogen in III-nitrides
复制标题
III 族氮化物中氢引起的钝化和掺杂
DOI：
--
复制
发表时间：
2001
期刊：
影响因子：
--
通讯作者：
C. Walle
中科院分区：
文献类型：
--
作者：
S. Limpijumnong;C. Walle
我们基于第一性原理计算，系统地研究了AlN、GaN和InN中氢的电子结构和稳定性。在GaN和AlN中，H是两性的，并且总是补偿主要的导电性：在GaN中，H +对于低于2.2 eV的费米能级是稳定的，并且在AlN中，H +对于低于2.5 eV的E-F是稳定的。在InN中，我们发现H +对所有费米能级位置都是稳定的;即，H完全是一个捐赠者。控制InN的导电性的后果进行了讨论。
We have systematically studied the electronic structure and stability of hydrogen in AlN, GaN, and InN, based on first-principles calculations. In GaN and AIN, H is amphoteric and always compensates the prevailing conductivity: in GaN, H + is stable for Fermi levels below 2.2 eV, and in AlN, H + is stable for E F below 2.5 eV. In InN, we find that H + is stable for all Fermi level positions; i.e., H behaves exclusively as a donor. Consequences for controlling the conductivity of InN are discussed.