应变对Fe/BaTiO_3多铁隧道结磁电耦合性能的影响
|
摘要
构建了不同面内应变条件下的Fe/BaTiO_3多铁隧道结模型,通过第一性原理计算,对Fe/BaTiO_3多铁隧道结中的磁电耦合效应进行了分析。通过对比处于不同面内应变条件下的Fe/BaTiO_3电学和磁学性能,得到其铁电极化强度及磁电耦合因数在面内压应变下增大,而在面内张应变下减小的结果。这表明,Fe/BaTiO_3多铁隧道结中的磁电耦合性能可以被应变效应所调控,增大面内压应变,能有效提高多铁隧道结的磁电耦合特性。
A model of Fe/BaTiO_3 multiferroic tunnel junctions under different in-plane strain conditions is developed. The magnetoelectric coupling effect in Fe/BaTiO_3 multiferroic tunnel junctions is studied by first-principles calculation. By comparing the electrical and magnetic properties under different in-plane strain conditions, it is found that the ferroelectric polarizations and magnetoelectric coupling coefficient increase under in-plane compressive strain and decrease under in-plane tension strain, which indicates that the ferroelectric polarization and magnetoelectric coupling in multiferroic tunnel junctions can be controlled by strain effect, and the magnetoelectric coupling characteristics of multiferronic tunnel junctions can be effectively improved by increasing in-plane compressive strain.
A model of Fe/BaTiO_3 multiferroic tunnel junctions under different in-plane strain conditions is developed. The magnetoelectric coupling effect in Fe/BaTiO_3 multiferroic tunnel junctions is studied by first-principles calculation. By comparing the electrical and magnetic properties under different in-plane strain conditions, it is found that the ferroelectric polarizations and magnetoelectric coupling coefficient increase under in-plane compressive strain and decrease under in-plane tension strain, which indicates that the ferroelectric polarization and magnetoelectric coupling in multiferroic tunnel junctions can be controlled by strain effect, and the magnetoelectric coupling characteristics of multiferronic tunnel junctions can be effectively improved by increasing in-plane compressive strain.
引文
[1] 南策文.多铁性材料研究进展及发展方向 [J].中国科学:技术科学,2015,45:339-357.(NAN Ce-wen.Research progress and future directions of multiferroic materials[J].Scientia Sinica:Technologica,2015,45:339-357.)
[2] FIEBIG M.Revival of the magnetoelectric effect [J].J Phys D Appl Phys,2005,38:R123-R152.
[3] PANTEL D,GOETZE S,HESSE D,et al.Reversible electrical switching of spin polarization in multiferroic tunnel junctions [J].Nat Mater,2012,11(4):289-293.
[4] HAMBE M,PETRARU A,PERTSEV N A,et al.Crossing an interface:Ferroelectric control of tunnel currents in magnetic complex oxide heterostructures [J].Adv Funct Mater,2010,20(15):2 436-2 441.
[5] ZHENG H,WANG J,LOFLAND S E,et al.Multiferroic BaTiO3-CoFe2O4 nanostructures [J].Science,2004,303(5 638):661-663.
[6] DUAN C G,JASWAL S S,TSYMBAL E Y.Predicted magnetoelectric effect in Fe/BaTiO3 multilayers:Ferroelectric control of magnetism [J].Phys Rev Lett,2006,97(4):047201.
[7] VELEV J P,DUAN C G,BURTON J D,et al.Magnetic tunnel junctions with ferroelectric barriers:Prediction of four resistance states from first-principles [J].Nano Lett,2009,9(1):427-432.
[8] YIN Y W,BURTON J D,KIM Y M,et al.Enhanced tunnelling electroresistance effect due to a ferroelectrically induced phase transition at a magnetic complex oxide interface [J].Nat Mater,2013,12(5):397-402.
[9] YIN L,MI W B,WANG X C.Perpendicular magnetic anisotropy and high spin polarization in tetragonal Fe4N/BiFeO3 heterostructures [J].Phys Rev Appl,2016,6(6):064022.
[10] NIRANJAN M K,VELEV J P,DUAN C G,et al.Magnetoelectric effect at the Fe3O4/BaTiO3 (001) interface:A first-principles study [J].Phys Rev B,2008,78(10):104405.
[11] FENG N,MI W B,WANG X C,et al.Superior properties of energetically stable La2/3Sr1/3MnO3/tetragonal BiFeO3 multiferroic superlattices [J].ACS Appl Mater Interface,2015,7(19):10 612-10 616.
[12] LIU X T,ZHENG Y,WANG B,et al.Prediction of ferroelectric stability and magnetoelectric effect of asymmetric multiferroic tunnel junctions [J].Appl Phys Lett,2013,102(15):152906.
[13] CAO D,SHU H B,JIAO Z W,et al.Strain driven enhancement of ferroelectricity and magnetoelectric effect in multiferroic tunnel junction [J].Phys Chem Chem Phys,2013,15(35):14 770-14 776.
[14] YU L,GAO G Y,ZHU L,et al.First principles study of magnetoelectric coupling in Co2FeAl/BaTiO3 tunnel junctions [J].Phys Chem Chem Phys,2015,17(22):14 986-14 993.
[15] KRESSE G,JOUBERT D.From ultrasoft pseudopotentials to the projector augmented-wave method [J].Phys Rev B,1999,59(3):1 758-1 775.
[16] SHIRANE G,DANNER H,PEPINSKY R.Neutron diffraction study of orthorhombic BaTiO3[J].Phys Rev,1957,105(3):856-860.
[17] ZHONG W,KING-SMITH R D,VANDERBILT D.Giant LO-TO splittings in perovskite ferroelectrics [J].Phys Rev Lett,1994,72(22):3 618-3 621.
[18] YANG Q,CAO J X,ZHOU Y C,et al.Dead layer effect and its elimination in ferroelectric thin film with oxide electrodes [J].Acta Mater,2016,112:216-223.
[19] NIRANJAN M K,BURTON J D,VELEV J P,et al.Magnetoelectric effect at the SrRuO3/BaTiO3 (001) interface:An ab initio study [J].Appl Phys Lett,2009,95(5):052501.
[2] FIEBIG M.Revival of the magnetoelectric effect [J].J Phys D Appl Phys,2005,38:R123-R152.
[3] PANTEL D,GOETZE S,HESSE D,et al.Reversible electrical switching of spin polarization in multiferroic tunnel junctions [J].Nat Mater,2012,11(4):289-293.
[4] HAMBE M,PETRARU A,PERTSEV N A,et al.Crossing an interface:Ferroelectric control of tunnel currents in magnetic complex oxide heterostructures [J].Adv Funct Mater,2010,20(15):2 436-2 441.
[5] ZHENG H,WANG J,LOFLAND S E,et al.Multiferroic BaTiO3-CoFe2O4 nanostructures [J].Science,2004,303(5 638):661-663.
[6] DUAN C G,JASWAL S S,TSYMBAL E Y.Predicted magnetoelectric effect in Fe/BaTiO3 multilayers:Ferroelectric control of magnetism [J].Phys Rev Lett,2006,97(4):047201.
[7] VELEV J P,DUAN C G,BURTON J D,et al.Magnetic tunnel junctions with ferroelectric barriers:Prediction of four resistance states from first-principles [J].Nano Lett,2009,9(1):427-432.
[8] YIN Y W,BURTON J D,KIM Y M,et al.Enhanced tunnelling electroresistance effect due to a ferroelectrically induced phase transition at a magnetic complex oxide interface [J].Nat Mater,2013,12(5):397-402.
[9] YIN L,MI W B,WANG X C.Perpendicular magnetic anisotropy and high spin polarization in tetragonal Fe4N/BiFeO3 heterostructures [J].Phys Rev Appl,2016,6(6):064022.
[10] NIRANJAN M K,VELEV J P,DUAN C G,et al.Magnetoelectric effect at the Fe3O4/BaTiO3 (001) interface:A first-principles study [J].Phys Rev B,2008,78(10):104405.
[11] FENG N,MI W B,WANG X C,et al.Superior properties of energetically stable La2/3Sr1/3MnO3/tetragonal BiFeO3 multiferroic superlattices [J].ACS Appl Mater Interface,2015,7(19):10 612-10 616.
[12] LIU X T,ZHENG Y,WANG B,et al.Prediction of ferroelectric stability and magnetoelectric effect of asymmetric multiferroic tunnel junctions [J].Appl Phys Lett,2013,102(15):152906.
[13] CAO D,SHU H B,JIAO Z W,et al.Strain driven enhancement of ferroelectricity and magnetoelectric effect in multiferroic tunnel junction [J].Phys Chem Chem Phys,2013,15(35):14 770-14 776.
[14] YU L,GAO G Y,ZHU L,et al.First principles study of magnetoelectric coupling in Co2FeAl/BaTiO3 tunnel junctions [J].Phys Chem Chem Phys,2015,17(22):14 986-14 993.
[15] KRESSE G,JOUBERT D.From ultrasoft pseudopotentials to the projector augmented-wave method [J].Phys Rev B,1999,59(3):1 758-1 775.
[16] SHIRANE G,DANNER H,PEPINSKY R.Neutron diffraction study of orthorhombic BaTiO3[J].Phys Rev,1957,105(3):856-860.
[17] ZHONG W,KING-SMITH R D,VANDERBILT D.Giant LO-TO splittings in perovskite ferroelectrics [J].Phys Rev Lett,1994,72(22):3 618-3 621.
[18] YANG Q,CAO J X,ZHOU Y C,et al.Dead layer effect and its elimination in ferroelectric thin film with oxide electrodes [J].Acta Mater,2016,112:216-223.
[19] NIRANJAN M K,BURTON J D,VELEV J P,et al.Magnetoelectric effect at the SrRuO3/BaTiO3 (001) interface:An ab initio study [J].Appl Phys Lett,2009,95(5):052501.