Borisov Vladislav, Ostanin Sergey, Mertig Ingrid
Institute of Physics, Martin Luther University Halle-Wittenberg, Von-Seckendorff-Platz 1, 06099 Halle, Germany.
Phys Chem Chem Phys. 2015 May 21;17(19):12812-25. doi: 10.1039/c4cp05831c.
A multiferroic interface between the antiferromagnetic Slater insulator SrTcO3 and ferroelectric BaTiO3 (BTO) is studied from first principles. Although the interfacial magnetoelectric coupling of SrTcO3(001) is relatively small, we found that a two-dimensional electron gas (2DEG) appears for both BaO/TcO2 and TiO2/SrO terminations. The charge character of the carriers, induced in the band gap due to polar BTO, can be switched from electrons to holes by the reversal of the electric polarization in BTO. The 2DEG is robust and stable against the degree of electronic correlations, whereas the paraelectric state of BTO suppresses the 2DEG. The origin of the 2DEG at the BTO/SrTcO3 interface and its key factors are discussed.
从第一性原理出发，研究了反铁磁斯莱特绝缘体SrTcO3与铁电体BaTiO3（BTO）之间的多铁性界面。尽管SrTcO3(001)的界面磁电耦合相对较小，但我们发现，对于BaO/TcO2和TiO2/SrO两种界面终端，都会出现二维电子气（2DEG）。由于极性BTO而在带隙中诱导产生的载流子的电荷特性，可以通过BTO中电极化的反转从电子转变为空穴。2DEG对电子关联程度具有很强的鲁棒性和稳定性，而BTO的顺电态会抑制2DEG。讨论了BTO/SrTcO3界面处2DEG的起源及其关键因素。
