PMID- 30306171
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20181030
LR  - 20181030
IS  - 1463-9084 (Electronic)
IS  - 1463-9076 (Linking)
VI  - 20
IP  - 41
DP  - 2018 Nov 7
TI  - Manipulation of spin and magnetic anisotropy in bilayer magnetic molecular 
      junctions.
PG  - 26396-26404
LID - 10.1039/c8cp05759a [doi]
AB  - Understanding the role of spin-environment interactions in the electron transport 
      properties of magnetic quantum systems is central to the rational design of 
      spintronics devices. Herein, two emergent phenomena arising from such 
      interactions, namely, the Kondo effect and magnetic anisotropy, are investigated 
      theoretically in bilayer transition metal phthalocyanine (TMPc) (TM = Co, Fe) on 
      a Pb(111) substrate by combining the density functional theory (DFT) and 
      hierarchical equations of motion (HEOM) approaches. The calculation results 
      indicate that the Kondo temperature T(K) and magnetic anisotropy energy in 
      TMPc/TMPc/Pb(111) junctions can be actively tuned through the modification of the 
      TM atom at the molecular center. In particular, the CoPc/FePc/Pb(111) composite 
      exhibits a similar spin-1/2 Kondo effect as the CoPc/CoPc/Pb(111) composite 
      reported previously in experiments, but T(K) is one order of magnitude larger 
      with the modification of the intermediate decoupling layer from CoPc to FePc. 
      Moreover, the magnetic anisotropy energy of the composite systems can also be 
      switched from the easy axis of D = -12.6 meV, E = 1.56 meV in FePc/CoPc/Pb(111) 
      to D = -11.2 meV, E = 0.0 meV in FePc/FePc/Pb(111) by changing the intermediate 
      layer. We attribute these intriguing tunabilities to the different spin-electron 
      coupling and symmetry of the ligand field provided by the intermediate layer. 
      These findings demonstrate the importance of the decoupling layer for the 
      magnetic properties of adsorbates and offer a promising strategy for the design 
      of spintronics.
FAU - Wang, Yu
AU  - Wang Y
AUID- ORCID: 0000-0001-8959-1289
AD  - Institute for Advanced Study, Shenzhen University, Shenzhen 518060, China. 
      xgli@szu.edu.cn and Key Laboratory of Optoelectronic Devices and Systems of 
      Ministry of Education and Guangdong Province, College of Optoelectronic 
      Engineering, Shenzhen University, Shenzhen 518060, China and Hefei National 
      Laboratory for Physical Sciences at the Microscale and Synergetic Innovation 
      Center of Quantum Information and Quantum Physics, University of Science and 
      Technology of China, Hefei 230026, China. yuwang@mail.ustc.edu.cn.
FAU - Li, Xiaoguang
AU  - Li X
AUID- ORCID: 0000-0001-9979-053X
AD  - Institute for Advanced Study, Shenzhen University, Shenzhen 518060, China. 
      xgli@szu.edu.cn.
FAU - Zheng, Xiao
AU  - Zheng X
AUID- ORCID: 0000-0002-9804-1833
AD  - Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic 
      Innovation Center of Quantum Information and Quantum Physics, University of 
      Science and Technology of China, Hefei 230026, China. yuwang@mail.ustc.edu.cn.
FAU - Yang, Jinlong
AU  - Yang J
AUID- ORCID: 0000-0002-5651-5340
AD  - Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic 
      Innovation Center of Quantum Information and Quantum Physics, University of 
      Science and Technology of China, Hefei 230026, China. yuwang@mail.ustc.edu.cn.
LA  - eng
PT  - Journal Article
DEP - 20181011
PL  - England
TA  - Phys Chem Chem Phys
JT  - Physical chemistry chemical physics : PCCP
JID - 100888160
EDAT- 2018/10/12 06:00
MHDA- 2018/10/12 06:01
CRDT- 2018/10/12 06:00
PHST- 2018/10/12 06:00 [pubmed]
PHST- 2018/10/12 06:01 [medline]
PHST- 2018/10/12 06:00 [entrez]
AID - 10.1039/c8cp05759a [doi]
PST - ppublish
SO  - Phys Chem Chem Phys. 2018 Nov 7;20(41):26396-26404. doi: 10.1039/c8cp05759a. Epub 
      2018 Oct 11.