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First-principles alloy theory, formulated within the exact muffin-tin orbitals method in combination with the coherent-potential approximation, is used to study the mechanical properties of ferromagnetic body-centered cubic (bcc)…

After two decades from the discovery of ferromagnetism in Mn-doped GaAs, its origin is still debated, and many doubts are related to the electronic structure. Here we report an experimental and theoretical study of the valence electron…

Strongly Correlated Electrons · Physics 2014-07-29 I. Di Marco , P. Thunström , M. I. Katsnelson , J. Sadowski , K. Karlsson , S. Lebègue , J. Kanski , O. Eriksson

The momentum distribution function (MDF) bands of iron-group transition metals from Sc to Cu have been investigated on the basis of the first-principles momentum dependent local ansatz wavefunction method. It is found that the MDF for $d$…

Strongly Correlated Electrons · Physics 2017-04-05 Yoshiro Kakehashi , Sumal Chandra

Vacancy defects in isotropic noncollinear antiferromagnets produce long-range spin textures. By developing a "magnetic elasticity theory", we demonstrate that a vacancy-induced readjustment in the spin configuration decays algebraically…

Strongly Correlated Electrons · Physics 2025-05-23 M. E. Zhitomirsky , Vijay B. Shenoy , Roderich Moessner

Semiconducting oxides possess a variety of intriguing electronic, optical, and magnetic properties, and native defects play a crucial role in these systems. In this study, we study the influence of native defects on these properties of…

Materials Science · Physics 2023-06-12 Poonam Sharma , Vikash Mishra , Alok Shukla

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…

Magnetic properties of thin (Ga,Mn)As layers improve during annealing by out-diffusion of interstitial Mn ions to a free surface. Out-diffused Mn atoms participate in the growth of a Mn-rich surface layer and a saturation of this layer…

Materials Science · Physics 2015-05-28 L. Horák , J. Matějová , X. Martí , V. Holý , V. Novák , Z. Šobáň , S. Mangold , F. Jiménez-Villacorta

Vacancies are prevalent point defects in crystals, but their thermal responses are elusive. Herein, we formulate a simple theoretical model to shed light on the vacancy evolution during heating. Vibrational excitations are thoroughly…

Materials Science · Physics 2022-02-07 Tran Dinh Cuong , Anh D. Phan

The hydrodynamics of crystals with vacancies is developed on the basis of local-equilibrium thermodynamics, where the chemical potential of vacancies plays a key role together with a constraint relating the concentration of vacancies to the…

Statistical Mechanics · Physics 2024-08-15 Joel Mabillard , Pierre Gaspard

Like in any other semiconductor, point defects in transition-metal dichalcogenides (TMDs) are expected to strongly impact their electronic and optical properties. However, identifying defects in these layered two-dimensional materials has…

Materials Science · Physics 2024-02-27 Shoaib Khalid , Anderson Janotti , Bharat Medasani

The nitrogen-vacancy (NV) centre in diamond is a unique optical defect that is used in many applications today and methods to enhance its fluorescence brightness are highly sought after. We observed experimentally an enhancement of the NV…

Mesoscale and Nanoscale Physics · Physics 2017-05-23 M. Capelli , P. Reineck , D. W. M. Lau , A. Orth , J. Jeske , M. W. Doherty , T. Ohshima , A. D. Greentree , B. C. Gibson

Well-known effect of mechanical stiffness degradation under the influence of point defects in macroscopic solids can be controversially reversed in the case of low-dimensional materials. Using atomistic simulation, we showed here that a…

Mesoscale and Nanoscale Physics · Physics 2015-08-18 Dmitry G. Kvashnin , Pavel B. Sorokin

A combination of high-resolution x-ray diffraction and a new technique of x-ray standing wave uorescence at grazing incidence is employed to study the structure of (Ga,Mn)As diluted magnetic semiconductor and its changes during post-growth…

Materials Science · Physics 2009-11-11 V. Holy , Z. Matej , O. Pacherova , V. Novak , M. Cukr , K. Olejnik , T. Jungwirth

In a recent comment, M. Kosterlitz described how the discrepancy about the lack of broken translational symmetry in two dimensions - doubting the existence of 2D crystals - and the first computer simulations foretelling 2D crystals at least…

Statistical Mechanics · Physics 2017-03-27 Bernd Illing , Sebastian Frischi , Herbert Kaiser , Christian Klix , Georg Maret , Peter Keim

The effect of quantum coherence involving macroscopic degree of freedom, and occurring in systems far larger than individual atoms are one of the topical fields in modern physics. Because of material dispersion, a phenomenological approach…

Optics · Physics 2019-05-01 E. O. Kamenetskii

Motivated by frequently reported deviations from stoichiometry in cubic transition metal nitride (TMNx) thin films, the effect of N-vacancy concentration on the elastic properties of cubic TiNx, ZrNx, VNx, NbNx, and MoNx (0.72<x<1.00) is…

Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect…

Materials Science · Physics 2014-07-28 Jani Kotakoski , Clemens Mangler , Jannik C. Meyer

Topology and strong electron correlations are crucial ingredients in emerging quantum materials, yet their intersection in experimental systems has been relatively limited to date. Strongly correlated Weyl semimetals, particularly when…

This work explores the possibility of resorting to neutrino phenomenology to detect evidence of new physics, caused by the residual signals of the supposed quantum structure of spacetime. In particular, this work investigates the effects on…

High Energy Physics - Phenomenology · Physics 2021-10-19 Marco Danilo Claudio Torri

The deviation of positions of atoms from their ideal lattice sites in crystalline solid state systems causes distortion and can lead to variation in structural [1] and functional properties [2]. Distortion in molecular systems has been…

Materials Science · Physics 2019-11-15 G. Anand , Markus Eisenbach , Russell Goodall , Colin L. Freeman