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In diffusion Monte Carlo (DMC) methods, the nodes (or zeroes) of the trial wave function dictate the magnitude of the fixed-node (FN) error. Within standard DMC implementations, they emanate from short multideterminant expansions,…
A domain wall in a ferromagnetic one-dimensional nanowire experiences current induced motion due to its coupling with the conduction electrons. When the current is not sufficient to drive the domain wall through the wire, or it is confined…
We study theoretically the dynamics of composite domain walls (DW) in multiferroic material GdFeO${}_3$ driven by magnetic field $H$. Two antiferromagnetic orders of Fe and Gd spins interact Gd-ion displacement in this system with coupling…
Superconductivity emerges in proximity to a nematic phase in most iron-based superconductors. It is therefore important to understand the impact of nematicity on the electronic structure. Orbital assignment and tracking across the nematic…
Although MoS2 field-effect transistors (FETs) with high-k dielectrics are promising for electron device applications, the underlying physical origin of interface degradation remains largely unexplored. Here, we present a systematic analysis…
Using accurate dissipative DFT-NEGF atomistic-simulation techniques within the Wannier-Function formalism, we give a fresh look at the possibility of sub-10 nm scaling for high-performance CMOS applications. We show that a combination of…
While ferromagnetism at relatively high temperatures is seen in diluted magnetic semiconductors such as Ga_(1-x)Mn_(x)As, doped semiconductors without magnetic ions have not shown evidence for ferromagnetism. Using a generalized disordered…
Field-effect transistors (FETs) with single gates are adversely affected by short channel effects such as drain-induced barrier lowering (DIBL) and increases in the magnitude of sub-threshold swing as the channel length is reduced.…
The electrical conductivity of parallel plate capacitors, with ferroelectric lithium niobate as the dielectric layer, can be extensively and progressively modified by the controlled injection of conducting domain walls. Domain wall-based…
We study transport in the presence of magnetic domain walls (DWs) in a lattice model of ferromagnetic type-I Weyl metals. We compute the diagonal and Hall conductivities in the presence of a DW, using both Kubo and Landauer formalisms, and…
The formation of 360{\deg} magnetic domain walls (360DWs) in Co and Ni80Fe20 thin film wires was demonstrated experimentally for different wire widths, by successively injecting two 180{\deg} domain walls (180DWs) into the wire. For narrow…
We have investigated the magnetoresistance of ferromagnet-semiconductor devices in an InAs two-dimensional electron gas system in which the magnetic field has a sinusoidal profile. The magnetoresistance of our device is large. The…
We have engineered an antiferromagnetic domain wall by utilizing a magnetic frustration effect of a thin iron cap layer deposited on a chromium film. Through lithography and wet etching we selectively remove areas of the Fe cap layer to…
Device-to-device variations in ferroelectric (FE) hafnium oxide (HfO2)-based devices pose a crucial challenge that limits the otherwise promising capabilities of this technology. Although previous simulation-based studies have identified…
BaFe$_2$As$_2$ with transition-metal doping exhibits a variety of rich phenomenon from coupling of structure, magnetism, and superconductivity. Using density functional theory, we systematically compare the Fermi surfaces (FS), formation…
Metals containing Ce often show strong electron correlations due to the proximity of the 4f state to the Fermi energy, leading to strong coupling with the conduction electrons. This coupling typically induces a variety of competing ground…
We have studied the magnetic-field and concentration dependences of the magnetizations of the hole and Mn subsystems in diluted ferromagnetic semiconductor Ga_{1-x}Mn_xAs. A mean-field approximation to the hole-mediated interaction is used,…
The Boltzmann distribution of electrons poses a fundamental barrier to lowering energy dissipation in conventional electronics, often termed as Boltzmann Tyranny. Negative capacitance in ferroelectric materials, which stems from the stored…
We report thermal conductivity and Seebeck effect measurements on Mn(Bi1-xSbx)2Te4 (MBST) with x = 0.26 under applied magnetic fields below 50 K. Our data shows clear indications of the electronic structure transition induced by the…
While most calculations on the properties of the ferromagnetic semiconductor GaAs:Mn have focussed on isolated Mn substituting the Ga site (Mn$_{Ga}$), we investigate here whether alternate lattice sites are favored and what the magnetic…