172 citations · 2.1k across the 58 of their papers we have counts for
27 papers · 1 filter
Keldysh Theory of Thermal Transport in Multiband Hamiltonians
Luqman Saleem, Udo Schwingenschlogl, Aurelien Manchon
We establish a comprehensive theoretical framework for systems subjected to a static uniform temperature gradient, employing the non-equilibrium Keldysh-Dyson formalism. This frame…
Fluctuation-mediated spin-orbit torque enhancement in the noncollinear antiferromagnet Mn3Ni0.35Cu0.65N
Arnab Bose, Tom G. Saunderson, Aga Shahee +9
The role of spin fluctuations near magnetic phase transitions is crucial for generating various exotic phenomena, including anomalies in the extraordinary Hall effect, excess spin-…
Higher-order Hall response arises from octupole order and scalar spin chirality in a noncollinear antiferromagnet
Adithya Rajan, Tom G. Saunderson, Fabian R. Lux +19
Noncollinear antiferromagnets can generate a transverse electrical response known as the anomalous Hall effect, even though they possess almost no net magnetization. The microscopi…
Proximity induced spin-valley polarization in silicene/germanene on F-doped WS
Shahid Sattar, Nirpendra Singh, Udo Schwingenschlögl
Silicene and germanene are key materials for the field of valleytronics. However, interaction with the substrate, which is necessary to support the electronically active medium, be…
Unconventional quantum Hall effect in Floquet topological insulators
M. Tahir, P. Vasilopoulos, U. Schwingenschlog
We study an unconventional quantum Hall effect for the surface states of ultrathin Floquet topological insulators in a perpendicular magnetic field. The resulting band structure is…
Tunable thermoelectricity in monolayers of MoS and other group-VI dichalcogenides
M. Tahir, U. Schwingenschlogl
We study the thermoelectric properties of monolayers of MoS and other group-VI dichalcogenides under circularly polarized off-resonant light. Analytical expressions are deriv…
Electronic transport properties of (fluorinated) metal phthalocyanine
M. M. Fadlallah, U. Eckern, A. H. Romero +1
The magnetic and transport properties of the metal phthalocyanine (MPc) and FMPc (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn and Ag) families of molecules in contact with S-A…
Quantum spin Hall states in graphene interacting with WS or WSe
T. P. Kaloni, L. Kou, T. Frauenheim +1
In the framework of first-principles calculations, we investigate the structural and electronic properties of graphene in contact with as well as sandwiched between WS and WSe$…
Solid argon as a possible substrate for quasi-freestanding silicene
S. Sattar, R. Hoffmann, U. Schwingenschlögl
We study the structural and electronic properties of silicene on solid Ar(111) substrate using ab-initio calculations. We demonstrate that due to weak interaction quasi-freestandin…
The fate of half-metallicity near interfaces: the case of NiMnSb/MgO and NiMnSi/MgO
Rui-Jing Zhang, Ulrich Eckern, Udo Schwingenschlögl
The electronic and magnetic properties of the interfaces between the half-metallic Heusler alloys NiMnSb, NiMnSi and MgO have been investigated using first-principles density-funct…
Band gap tunning in BN-doped graphene systems with high carrier mobility
T. P. Kaloni, R. P. Joshi, N. P. Adhikari +1
Using density functional theory, we present a comparative study of the electronic properties of BN-doped graphene monolayer, bilayer, trilayer, and multilayer systems. In addition,…
Prediction of a quantum anomalous Hall state in Co decorated silicene
T. P. Kaloni, N. Singh, U. Schwingenschlögl
Based on first-principles calculations, we demonstrate that Co decorated silicene can host a quantum anomalous Hall state. The exchange field induced by the Co atoms combined with…
Electronic properties of Mn decorated silicene on hexagonal boron nitride
T. P. Kaloni, S. Gangopadhyay, N. Singh +2
We study silicene on hexagonal boron nitride, using first principles calculations. Since hexagonal boron nitride is semiconducting, the interaction with silicene is weaker than for…
Modelling magnetism of C at O and B monovacancies in graphene
T. P. Kaloni, M. Upadhyay Kahaly, R. Faccio +1
The presence of defects can introduce important changes in the electronic structure of graphene, leading to phenomena such as C magnetism. In addition, vacancies are reactive and p…
Hole doped Dirac states in silicene by biaxial tensile strain
T. P. Kaloni, Y. C. Cheng, U. Schwingenschlögl
The effects of biaxial tensile strain on the structure, electronic states, and mechanical properties of silicene are studied by ab-initio calculations. Our results show that up to…
A first principles investigated optical spectra of oxizided graphene
N. Singh, T. P. Kaloni, Udo Schwingenschlögl
The electronic and optical properties of mono, di, tri, and tetravacancies in graphene are studied in comparison to each other, using density functional theory. In addition, oxidiz…
Quasi free-standing silicene in a superlattice with hexagonal boron nitride
T. P. Kaloni, M. Tahir, U. Schwingenschlögl
We study a superlattice of silicene and hexagonal boron nitride by first principles calculations and demonstrate that the interaction between the layers of the superlattice is very…
Weak interaction between germanene and GaAs(0001) by H intercalation: A route to exfoliation
T. P. Kaloni, U. Schwingenschlögl
The epitaxial growth of germanene on semiconducting GaAs(0001) substrate is studied using - calculations. The interaction of the germanene is found to be minimum with t…
Modified Li chains as atomic switches
Thomas Wunderlich, Berna Akgenc, Ulrich Eckern +2
We present electronic structure and transport calculations for hydrogen and lithium chains, using density functional theory and scattering theory on the Green's function level, to…
Electronic Transport Through EuO Spin Filter Tunnel Junctions
Nuttachai Jutong, Ivan Rungger, Cosima Schuster +3
Epitaxial spin filter tunnel junctions based on the ferromagnetic semiconductor europium monoxide, EuO, are investigated by means of density functional theory. In particular, we fo…
Induced magnetism in transition metal intercalated graphitic systems
T. P. Kaloni, M. Upadhyay Kahaly, U. Schwingenschlögl
We investigate the structure, chemical bonding, electronic properties, and magnetic behavior of a three-dimensional graphitic network in aba and aaa stacking with intercalated tran…
Quantum spin/valley Hall effect and topological insulator phase transitions in silicene
M. Tahir, A. Manchon, K. Sabeeh +1
We present a theoretical realization of quantum spin and quantum valley Hall effects in silicene. We show that combination of an electric field and intrinsic spin-orbit interaction…
First-principles study of high conductance DNA sequencing with carbon nanotube electrodes
X. Chen, I. Rungger, C. D. Pemmaraju +2
Rapid and cost-effective DNA sequencing at the single nucleotide level might be achieved by measuring a transverse electronic current as single-stranded DNA is pulled through a nan…
Finite-bias electronic transport of molecules in water solution
I. Rungger, X. Chen, U. Schwingenschlögl +1
The effects of water wetting conditions on the transport properties of molecular nano-junctions are investigated theoretically by using a combination of classical molecular dynamic…