Related papers: Stabilizing intrinsic defects in SnO$_{2}$
We performed an angle-resolved photoemission spectroscopy study of Si-doped $\beta$-Ga$_2$O$_3$. We observed very small photoemission intensity near the Fermi level corresponding to non-dispersive states assigned to Si impurities. We show…
Motivated by recent spin- and angular-resolved photoemission (SARPES) measurements performed on the two-dimensional electronic states confined near the (001) surface of SrTiO$_3$ in the presence of oxygen vacancies, we explore their spin…
The recent discovery of high-temperature superconductivity in high-pressurized La$_3$Ni$_2$O$_{7-\delta}$ has garnered significant attention. Using density functional theory, we investigate the magnetic properties of…
Room-temperature ferromagnetism has been recently discovered in Co-doped TiO$_2$ rutile. Our $ab$ $initio$ density-functional theory investigations show that the substitutional Co ions incorporated into TiO$_2$ rutile tend to cluster and…
Electronic structure has been studied in lightly electron doped correlated spin-orbit insulator Sr$_2$IrO$_4$ by angle-resolved photoelectron spectroscopy. We have observed coexistence of the lower Hubbard band and the in-gap band, the…
We present a study of delta ($\delta$) doping at LaTiO$_3$/SrTiO$_3$ (LTO/STO) interface with iso-structural antiferromagnetic perovskite LaCrO$_3$ (LCO) that dramatically alters the properties of the two dimensional electron gas (2-DEG) at…
The electronic structural properties in the presence of constrained magnetization and a charged background are studied for a monolayer of FeSe in non-magnetic, checkerboard-, and striped-antiferromagnetic (AFM) spin configurations. First…
We present the self-interaction corrected local spin density (SIC-LSD) electronic structure and total energy calculations, leading also to valencies of the ground state configurations, for the half-metallic double perovskites such as…
The effect of lithium vacancies in the hexagonal structure of $\alpha-$Li$_3$N, is studied within the framework of density functional theory. Vacancies ($\square$) substituting for lithium in $\alpha-$Li$_2$(Li$_{1-x}\square_x$)N are…
Magnetic excitations in the energy range up to 100 meV are studied for over-doped La$_{2-x}$Sr$_{x}$CuO$_{4}$ with $x=0.25$ and 0.30, using time-of-flight neutron spectroscopy. Comparison of spectra integrated over the width of an…
We study the transport properties in SrVO3/LaVO3 (SVO/LVO) superlattices deposited on SrTiO3 (STO) substrates. We show that the electronic conduction occurs in the metallic LVO layers with a galvanomagnetism typical of a 2D Fermi surface.…
The recently-discovered ``ladder'' compound LaCuO$_{2.5}$ has been found to admit hole doping without altering its structure of coupled copper oxide ladders. While susceptibility measurements on the parent compound suggest a spin gap and a…
We discuss the mechanism responsible for the observed improvement in the structural properties of In doped GaSe, a layered material of great current interest. Formation energy calculations show that by tuning the Fermi energy, In can…
With the intention to reveal the effect of the substitution, Ti-doped InSb alloy, we accomplished a first-principles prediction within the FPLAPW+lo method. We used GGA-PBEsol scheme attached with the improved TB-mBJ approach to predict…
We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, and…
Tetrahedrite (copper antimony sulfosalt) is promising p-type themoeletric material due to very low intrinsic thermal conductivity and moderately-high power factor, with one of the limitations being lack of n-type variant to create…
The structural, magnetic and transport properties have been studied of Li doped CoV2O4 and FeV2O4. Li doping increases the ferri-magnetic ordering temperature of both the samples but decreases the spin-glass transition temperature of…
We study the local density of states (LDOS) of two-dimensional electrons in the presence of spin-orbit (SO) coupling. Although SO coupling has no effect on the average density of states, it manifests itself in the correlations of the LDOS.…
We study a symmetrical double quantum dot (DD) system with strong capacitive inter-dot coupling using renormalization group methods. The dots are attached to separate leads, and there can be a weak tunneling between them. In the regime…
First principles calculations of the O surfaces of Co-ZnO show that substitutional Co ions develop large magnetic moments which long-range coupling depends on their mutual distance. The local spin polarization induced at the O atoms is…