Related Experiment Video
Updated: May 22, 2025

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
Published on: March 24, 2019
Can Iron Be Embedded between Zigzag Mo Chains of the 1T'-MoTe2 Monolayer To Induce Magnetism?: A First-Principles
Dolan Acharya1, Renna Shakir2, J Karthikeyan1
1Department of Physics, National Institute of Technology, Durgapur, West Bengal 713209, India.
Abstract:
Molybdenum dichalcogenides are remarkable two-dimensional materials with promising applications in electronics, optoelectronics, and energy storage. Modifying a synthesized MoTe2 layer by embedding extra metal atoms into lattice voids induces novel electronic and magnetic properties, enabling quantum phenomena. Our density functional theory (DFT) calculations explore post-growth Fe deposition in 2H- and 1T'-MoTe2 phases, evaluating adatom, interstitial (Int), and substitutional (Sub) configurations. Formation energy results indicate that Fe favors Int sites under Te-limited conditions in both phases, with higher affinity and enhanced magnetism in 1T'. Simulated scanning tunneling microscopy images align with Fe-doping experiments in isoelectronic 1T'-WTe2, showing inconclusive Fe locations. DFT results highlight for the first time the ability to enhance MoTe2 functionality by embedding impurity metals in zigzag chains, enabling applications in quantum technologies and catalysis.
Related Concept Videos
Predicting Molecular Geometry
Ferromagnetism
MOSFET: Enhancement Mode
In their basic form, enhancement-mode MOSFETs are typically non-conductive when the gate-source voltage (Vgs) is zero. This default 'off' state means no...
Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
Valence Bond Theory
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...

