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The magnetic properties of van der Waals materials are profoundly influenced by structural defects. The layered antiferromagnet MnPS3 offers a unique opportunity to explore defect-related magnetism, as Mn2+ vacancies can be generated by the…
We investigate the possible magnetism on the Si(111)-$\sqrt 3 \times \sqrt 3$ surface, which is stabilized for highly boron-doped samples, by using first-principles calculations. When the silicon adatom on top of a boron atom is removed to…
In contrast to bulk materials, nanoscale crystal growth is critically influenced by size- and shape-dependent properties. However, it is challenging to decipher how stoichiometry, in the realm of mixed-valence elements, can act to control…
The multifunctional materials with prominent properties such as electrical, ferroelectric, magnetic, optical and magneto-optical are of keen interest to several practical implications. In the roadmap of designing such materials, in the…
Among the ferromagnetic binary alloys, body centered cubic (bcc) Fe-Co is the one showing the highest magnetization. It is known experimentally that ordered Fe-Co structures show a larger magnetization than the random solid solutions with…
The magnetic phase diagram of the Mn-based semi-Heusler alloys is determined at T=0 using first-principles calculations in conjunction with the frozen-magnon approximation. We show that the magnetism in these systems strongly depends on the…
Charge traps in the semiconductor bulk (bulk charge traps) make it difficult to predict the electric field within wide-bandgap semiconductors. The issue is the daunting number of bulk charge-trap candidates which means the treatment of bulk…
With pulsed laser deposition we have grown c-axis oriented thin films of the nominal composition LaMnO$_{3}$ (LMO) on LSAT(001) substrates. We find that, depending on the oxygen background pressure during growth, the LMO films contain…
Surface-states of topological insulators are assumed to be robust against non-magnetic defects in the crystal. However, recent theoretical models and experiments indicate that even non-magnetic defects can perturb these states. Our…
We have studied the magnetic and transport behavior of doped La0.65 A0.35 Mn0.95Fe0.05 O3 (A= Ca, Sr, Pb, Ba) compounds. All the compositions show ferromagnetic/metal to paramagnetic/insulator transition except the Pb doped sample which is…
We predict that a novel bias-voltage assisted magnetization reversal process will occur in Mn doped II-VI semiconductor quantum wells or heterojunctions with carrier induced ferromagnetism. The effect is due to strong exchange-coupling…
We report on vacancy induced half-metallicity in the prototype Mott-insulating substances MnO and NiO. By embedding a cation-vacancy into a magnetic system a new road opens up to the construction of half-metallic antiferromagnets. For…
Two-component systems with equal concentrations of electrons and holes exhibit non-saturating, linear magnetoresistance in classically strong magnetic fields. The effect is predicted to occur in finite-size samples at charge neutrality in…
In recent years there has been an intense search for room temperature ferromagnetism in doped dilute semiconductors, which have many potentially applications in spintronics and optoelectronics. We report here the unexpected observation of…
Contrary to prior calculations, the Ni-rich ordered structures of the Cr-Ni alloy system are found to be antiferromagnetic under semi-local density-functional theory. The optimization of local magnetic moments significantly increases the…
The influence of antisite disorder occupancies on the magnetic properties of the half-metallic Co$_2$MnSi compound was studied by experimental techniques and first-principles calculations. The neutron diffraction studies show almost…
While defects such as oxygen vacancies in correlated materials can modify their electronic properties dramatically, understanding the microscopic origin of electronic correlations in materials with defects has been elusive. Lanthanum…
Adopting the mean-field composite fermion picture, we describe the magneto-transport properties of a two-dimensional electron gas with laterally modulated density around filling factor 1/2. The occurrence of a strong positive…
We use a combination of ab initio calculations and statistical mechanics to investigate the substitution of Li+ for Mg2+ in magnesium hydride (MgH2) accompanied by the formation of hydrogen vacancies with positive charge (with respect to…
Ferroics based on transition-metal (TM) substituted SrTiO$_{3}$ have called much attention as magnetism and/or ferroelectricity can be tuned by using cations substitution and defects, strain and/or oxygen deficiency. C. A. Ross et al.…