Defect chemistry of pn junctions in complex oxides

Shimon Saraf; Miri Markovich; Avner Rothschild

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Defect chemistry of pn junctions in complex oxides

机译：复杂氧化物中pn结的缺陷化学

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This study examines the role of ionic defects in oxide electronics, taking the ubiquitous pn junction as a case study. We elaborate a methodology for calculating the junction characteristics under equilibrium conditions, marrying the defect chemistry of complex oxides and semiconductor pn junction physics. Unlike the conventional pn junction model, our methodology fully accounts for the unique defect chemical properties of complex oxides. Detailed calculations of the electrostatic potential, defect distribution, charge-density, and energy band profiles across a prototypical pn junction are presented and discussed, taking the SrTiO_3 perovskite as a model system. Our calculations demonstrate that for a pn junction between iron- and niobium-doped SrTiO_3 with acceptor (iron) and donor (niobium) densities of 7.34 ×10~(18) cm~(3) and 1.63 ×10~(19) cm~(-3), respectively, the built-in voltage may vary between 1.8 and 2 eV by tailoring processing conditions such as the cooling rate and oxygen partial pressure. Replacing the deep-level iron acceptors with shallow-level ones may further increase the built-in voltage to 2.7 eV. These calculations demonstrate the important role of the ionic defects in shaping the junction characteristics, highlighting the effects of processing conditions and the ionization energy of the dopants.

机译：本研究以无处不在的pn结为例，研究了离子缺陷在氧化物电子学中的作用。我们阐述了一种计算平衡条件下的结特性的方法，将复杂氧化物的缺陷化学与半导体pn结物理联系起来。与传统的pn结模型不同，我们的方法充分考虑了复杂氧化物的独特缺陷化学性质。以SrTiO_3钙钛矿为模型系统，对典型pn结上的静电势，缺陷分布，电荷密度和能带分布进行了详细的计算和讨论。我们的计算表明，铁和铌掺杂的SrTiO_3之间的pn结受主（铁）和施主（铌）的密度分别为7.34×10〜（18）cm〜（3）和1.63×10〜（19）cm〜（-3），通过调整处理条件（例如冷却速率和氧气分压），内置电压可以在1.8和2 eV之间变化。将深层铁受体替换为浅层铁受体可能会将内置电压进一步提高到2.7 eV。这些计算证明了离子缺陷在塑造结特性方面的重要作用，突出了工艺条件和掺杂剂电离能的影响。

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来源
《Physical review》 |2010年第24期|p.245208.1-245208.9|共9页
作者
Shimon Saraf; Miri Markovich; Avner Rothschild;
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作者单位

Faculty of Materials Engineering, Technion-Israel Institute of Technology, Haifa, Israel;

Faculty of Materials Engineering, Technion-Israel Institute of Technology, Haifa, Israel;

Faculty of Materials Engineering, Technion-Israel Institute of Technology, Haifa, Israel;

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正文语种 eng
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electronic transport in interface structures;

机译：接口结构中的电子传输;

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Defect chemistry of pn junctions in complex oxides

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