These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
Pubmed for Handhelds
PUBMED FOR HANDHELDS
Search MEDLINE/PubMed
Title: Magnetic moment and magnetic anisotropy of Ge3Mn5 thinfilms on Ge(111) substrate: A density functional study. Author: Yuan HK, Cui H, Liu B, Tian CL, Wang JZ, Kuang AL, Chen H. Journal: J Chem Phys; 2018 Feb 21; 148(7):074701. PubMed ID: 29471644. Abstract: Magnetism and magnetic anisotropy energy (MAE) of the Ge3Mn5 bulk, free-standing surface, and Ge3Mn5(001)|Ge(111) thinfilms and superlattice have been systemically investigated by using the relativistic first-principles electronic structure calculations. For Ge3Mn5 adlayers on Ge(111) substrates within Mn1 termination, the direction of magnetization undergoes a transition from in-plane at 1 monolayer (ML) thickness (MAE = -0.50 meV/ML) to out-of-plane beginning at 3 ML thickness (nearly invariant MAE = 0.16 meV/ML). The surficial/interfacial MAE is extracted to be 1.23/-0.54 meV for Mn1-termination; the corresponding value is 0.19/1.03 meV for Mn2/Ge-termination; the interior MAE is averaged to be 0.09 meV per ML. For various Ge3Mn5 systems, the in-plane lattice expansion and/or interlayer distance contraction would enhance the out-of-plane MAE. Our theoretical magnetic moments and MAEs fit well with the experimental measurements. Finally, the origination of MAE is elucidated under the framework of second-order perturbation with the electronic structure analyses.[Abstract] [Full Text] [Related] [New Search]