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Showing 2022 · cond-mat.mtrl-sciShow all

16 papers · 2 filters

cond-mat.mtrl-sci2022★ 423 cited

Combined DFT, SCAPS-1D, and wxAMPS frameworks for design optimization of efficient Cs2BiAgI6-based perovskite solar cells with different charge transport layers

M. Khalid Hossain, A. A. Arnab, Ranjit C. Das +7

In this study, combined DFT, SCAPS-1D, and wxAMPS frameworks are used to investigate the optimized designs of Cs2BiAgI6 double perovskite-based solar cells. The first-principle cal…

cond-mat.mtrl-sci2022★ 44 cited

Chemical Design of Electronic and Magnetic Energy Scales in Tetravalent Praseodymium

Arun Ramanathan, Jensen Kaplan, Dumitru-Claudiu Sergentu +9

Lanthanides in the trivalent oxidation state are typically described using an ionic picture that leads to localized magnetic moments. The hierarchical energy scales associated with…

cond-mat.mtrl-sci2022★ 12 cited

Surface Effects on Anisotropic Photoluminescence in One-Dimensional Organic Metal Halide Hybrids

Luke M. McClintock, Long Yuan, Ziyi Song +10

One-dimensional (1D) organic metal halide hybrids exhibit strongly anisotropic optical properties, highly efficient light emission, and large Stokes shift, holding promises for nov…

cond-mat.mtrl-sci2022★ 11 cited

Bulk Assembly of Organic Metal Halide Nanoribbons

Sujin Lee, Rijan Karkee, Azza Ben-Akacha +5

Organic metal halide hybrids with low-dimensional structures at the molecular level have received great attention recently for their exceptional structural tunability and unique ph…

cond-mat.mtrl-sci2022★ 10 cited

Spin filtering effect in intrinsic 2D magnetic semiconductor Cr2Ge2Te6

Honglei Feng, Gang Shi, Dayu Yan +5

All van der Waals (vdW) Fe3GeTe2/Cr2Ge2Te6/graphite magnetic heterojunctions have been fabricated via mechanical exfoliation and stacking, and their magnetotransport properties are…

cond-mat.mtrl-sci2022★ 92 cited

Interplay of Structural Chirality, Electron Spin and Topological Orbital in Chiral Molecular Spin Valves

Yuwaraj Adhikari, Tianhan Liu, Hailong Wang +7

Chirality has been a property of central importance in chemistry and biology for more than a century, and is now taking on increasing relevance in condensed matter physics. Recentl…

cond-mat.mtrl-sci2022★ 5 cited

Large Magnetic Anisotropy and Magnetostriction in Thin Films of CoVO

Sangsoo Kim, Christie Thompson, Yan Xin +1

Spinel Cobalt Vanadate CoVO has been grown on (001) SrTiO substrates. Using torque magnetometry experiments, we find that the previously observed temperature induced an…

cond-mat.mtrl-sci2022★ 9 cited

Spin Current Density Functional Theory of the Quantum Spin-Hall Phase

William P. Comaskey, Filippo Bodo, Alessandro Erba +2

The spin current density functional theory (SCDFT) is the generalization of the standard DFT to treat a fermionic system embedded in the effective external field produced by the sp…

cond-mat.mtrl-sci2022★ 16 cited

Weyl nodal ring states and Landau quantization with very large magnetoresistance in square-net magnet EuGa

Shiming Lei, Kevin Allen, Jianwei Huang +17

Magnetic topological semimetals (TSMs) allow for an effective control of the topological electronic states by tuning the spin configuration, and therefore are promising materials f…

cond-mat.mtrl-sci2022★ 2 cited

Ab initio Approaches to High Entropy Alloys: A Comparison of CPA, SQS, and Supercell Methods

Mariia Karabin, Wasim Mondal, Andreas Ostlin +7

We present a comparative study of different modeling approaches to the electronic properties of the $\textrm{Hf}_{0.05}\textrm{Nb}_{0.05}\textrm{Ta}_{0.8}\textrm{Ti}_{0.05}\textrm{…

cond-mat.mtrl-sci2022★ 4 cited

Reconciling monolayer and bilayer square lattices in hybrid oxide superlattice

Dongliang Gong, Junyi Yang, Lin Hao +7

The number of atomic layers confined in a two-dimensional structure is crucial for the electronic and magnetic properties. Single-layer and bilayer square latti…

cond-mat.mtrl-sci2022★ 17 cited

Polaronic Conductivity in CrGeTe Single Crystals

Yu Liu, Myung-Geun Han, Yongbin Lee +11

Intrinsic, two-dimensional (2D) ferromagnetic semiconductors are an important class of materials for spin-charge conversion applications. CrGeTe retains long-range magn…

cond-mat.mtrl-sci2022★ 2 cited

Magnetic resonance probing of ferroelectricity and magnetism in metal-organic frameworks

Nandita Abhyankar, Sylvain Bertaina, Maylis Orio +1

We employ electron paramagnetic resonance (EPR) of the spin probe Mn2+ to study the paraelectric ferroelectric transition in DMAMnF and Mn2 doped DMZnF, which are considered to be…

cond-mat.mtrl-sci2022★ 17 cited

Magnetic properties of equiatomic CrMnFeCoNi

Timothy A. Elmslie, Jacob Startt, Sujeily Soto-Medina +10

Magnetic, specific heat, and structural properties of the equiatomic Cantor alloy system are reported for temperatures between 5 kelvin and 300 kelvin, and up to fields of 70 kilo-…

cond-mat.mtrl-sci2022★ 3 cited

Mechanical control of physical properties in the van der Waals ferromagnet Cr2Ge2Te6 via application of electric current

Hengdi Zhao, Yifei Ni, Bing Hu +6

Cr2Ge2Te6 is a van der Waals ferromagnet with a Curie temperature at 66 K. Here we report a swift change in the magnetic ground state upon application of small DC electric current,…

cond-mat.mtrl-sci2022★ 34 cited

Topological Lifshitz transition and one-dimensional Weyl mode in HfTe5

Wenbin Wu, Zeping Shi, Yuhan Du +11

Landau band crossings typically stem from the intra-band evolution of electronic states in magnetic fields and enhance the interaction effect in their vicinity. Here in the extreme…