Doping effects on the ferroelectric properties of wurtzite nitrides
Doping effects on the ferroelectric properties of wurtzite nitrides
复制标题
掺杂对纤锌矿氮化物铁电性能的影响
DOI：
10.1063/5.0145818
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发表时间：
2023
影响因子：
4
通讯作者：
Di Wu
中科院分区：
文献类型：
--
作者：
Zhijie Liu;Xinyu Wang;Xin;Yurong Yang;Di Wu
长期以来，人们一直在探索铁电材料，以便与最先进的半导体技术相结合。由于其高稳定性、兼容性和可扩展性，掺杂纤锌矿氮化物已被报道为有前途的候选者。用第一性原理方法研究了掺杂对sc掺杂AlN （AlScN）和b掺杂AlN （AlBN）铁电性能的影响。在低浓度范围内，抑制极化开关的能量势垒随着掺杂浓度的增加而降低，这是掺杂AlN中出现铁电性的原因。进一步增加掺杂浓度至临界值，铁电纤锌矿相转变为准电相（AlScN为岩盐相，AlBN为锌闪锌矿相），通过增加掺杂浓度降低矫顽力的方法失效。此外，还揭示了不同的非极性结构（AlScN为六方相，AlBN为-BeO相）在铁电开关通路中出现，从而在掺杂AlN中产生不同的开关特性。我们的研究结果提供了对掺杂纤锌矿材料铁电特性的微观理解，拓宽了改善其铁电特性的途径。
Ferroelectric materials have been explored for a long time for easy integration with state-of-the-art semiconductor technologies. Doped wurtzite nitrides have been reported as promising candidates due to their high stability, compatibility, and scalability. We investigate doping effects on ferroelectric properties of Sc-doped AlN (AlScN) and B-doped AlN (AlBN) by first-principles methods. The energy barrier against polarization switching is observed to decrease with increasing doping concentration at low concentration ranges, which is the origin of the emerging ferroelectricity in doped AlN. Further increasing the doping concentration to a critical value, the ferroelectric wurtzite phase transforms into paraelectric phases (a rock salt phase for AlScN and a zinc blende phase for AlBN), making it invalid to decrease the coercivity by increasing the doping concentration. Furthermore, it is revealed that different nonpolar structures (a hexagonal phase for AlScN and a [Formula: see text]-BeO phase for AlBN) appear in the ferroelectric switching pathway, generating different switching features in doped AlN. Our results give a microscopic understanding of the ferroelectricity in doped wurtzite materials and broaden the route to improve their ferroelectric properties.
影响因子：
3.2
作者：
Siyuan Zhang;D. Holec;W. Fu;C. Humphreys;M. Moram
通讯作者：
Siyuan Zhang;D. Holec;W. Fu;C. Humphreys;M. Moram