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The detailed nature of electronic states mediating ferromagnetic coupling in dilute magnetic semiconductors, specifically (Ga,Mn)As, has been an issue of long debate. Two confronting models have been discussed emphasizing host band vs.…

Materials Science · Physics 2017-03-08 J. Kanski , L. Ilver , K. Karlsson , I. Ulfat , M. Leandersson , J. Sadowski , I. Di Marco

The crystal structure, electronic and magnetic properties of the new full-Heusler compounds Zr2MnZ (Z=Al, Ga, In), were studied within the Density Functional Theory (DFT) framework. The materials exhibit unique properties that connect the…

Materials Science · Physics 2016-02-17 A. Birsan

Recently, a novel collinear magnet, i.e. the altermagnet (AM), with spin-splitting energy band and zero net magnetization have attracted great interest due to its potential spintronic applications. Here, we demonstrate AM-like phases in a…

Strongly Correlated Electrons · Physics 2025-02-25 Miaomiao Zhao , Wei-Wei Yang , Xueming Guo , Hong-Gang Luo , Yin Zhong

We study the electronic structure and the magnetic correlations of cyanocobalamin ($C_{63}H_{88}CoN_{14}O_{14}P$) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition metal impurity in a…

Strongly Correlated Electrons · Physics 2016-05-31 Selma Mayda , Zafer Kandemir , Nejat Bulut

By means of ab initio calculations within the density functional theory (DFT) electronic and magnetic properties of BaTiO3/LaMnO3 interface were investigated. An impact of ferroelectric overlayer thickness onto the interface properties was…

Materials Science · Physics 2022-06-07 Irina Piyanzina , Rinat Mamin

We propose a concept of half-semiconductor antiferromagnets in which both spin-polarized valence and conduction bands belong to the same spin channel with completely compensated spontaneous magnetization. Using density functional theory…

Materials Science · Physics 2013-08-26 Junjie He , P. Zhou , N. Jiao , L. Z. Sun , Xiaoshuang Chen , Wei Lu

Some doped semiconductors have recently been shown to display superconductivity or weak ferromagnetism. Here we investigate the electronic structure and conditions for magnetism in a supercells of cubic XW_{26}O_{81}, where X=Nb,V and Re.…

Materials Science · Physics 2016-08-31 T. Jarlborg

The electronic and magnetic properties of varying width, oxygen-functionalized armchair graphene nanoribbons (AGNRs) are investigated using first-principles density functional theory (DFT). Our study shows that O-passivation results in a…

Electronic and magnetic properties of a system of two charged vacancies in hexagonal shaped graphene quantum dots are investigated using a mean-field Hubbard model as a function of the Coulomb potential strength $\beta$ of the charge…

Mesoscale and Nanoscale Physics · Physics 2020-08-21 E. Bulut Kul , M. Polat , A. D. Güçlü

We report on the structural and electronic properties of the interface between the multiferoic oxide YMnO$_3$ and wide band-gap semiconductor GaN studied with the Hubbard-corrected local spin density approximation (LSDA+U) to…

Materials Science · Physics 2011-11-10 Na Sai , Jaekwang Lee , Craig J. Fennie , Alexander A. Demkov

We have studied the electronic structure of Zn$_{0.9}$Fe$_{0.1}$O nano-particles, which have been reported to show ferromagnetism at room temperature, by x-ray photoemission spectroscopy (XPS), resonant photoemission spectroscopy (RPES),…

The valence band electronic structure of Pr$_{0.5}$Sr$_{0.5}$MnO$_3$ has been investigated across its paramagnetic metallic (PMM) - ferromagnetic metallic (FMM) - antiferromagnetic insulator (AFMI) transition. Using surface sensitive high…

Materials Science · Physics 2011-04-19 P. Pal , M. K. Dalai , I. Ulfat

We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…

Materials Science · Physics 2025-08-20 Kulbhushan Mishra , Shishir Kumar Pandey , S. Chaudhuri , Rajeev Rawat , P. A. Bhobe

Magnetic and electronic transport properties of Co$_2$MnZ (Z = Al, Ga, Ge, Si, Sn) Heusler alloys were experimentally investigated. Electrical resistivity, in the temperature range from 4.2 to 300 K, as well as field dependences of the Hall…

The magnetic structure of antiferromagnetically ordered phases of quasi-one-dimensional organic conductors is studied theoretically at absolute zero based on the mean field approximation to the quarter-filled band with on-site and…

Strongly Correlated Electrons · Physics 2009-10-30 Hitoshi Seo , Hidetoshi Fukuyama

The conduction electron density of states nearby a single magnetic impurity, as measured recently by scanning tunneling microscopy (STM), is calculated. It is shown that the Kondo effect induces a narrow Fano resonance as an intrinsic…

Strongly Correlated Electrons · Physics 2020-04-20 O. Ujsaghy , J. Kroha , L. Szunyogh , A. Zawadowski

Tetragonal phase of CuMnAs progressively appears as one of the key materials for antiferromagnetic spintronics due to efficient current-induced spin-orbit torques whose existence can be directly inferred from crystal symmetry. Theoretical…

The electronic structures of the ferromagnetic superconductors $\mathrm{UGe}_2$ and $\mathrm{UCoGe}$ in the paramagnetic phase were studied by angle-resolved photoelectron spectroscopy using soft X-rays ($h\nu =400-500$). The quasi-particle…

Using a laterally-fabricated quantum-dot (QD) spin-valve device, we experimentally study the Kondo effect in the electron transport through a semiconductor QD with an odd number of electrons (N). In a parallel magnetic configuration of the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 K. Hamaya , M. Kitabatake , K. Shibata , M. Jung , M. Kawamura , K. Hirakawa , T. Machida , T. Taniyama , S. Ishida , Y. Arakawa

Electronic structure of ferromagnetic half-metal CrO$_2$ was studied by means of 53Cr nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT). The measured NMR spectrum consists of three distinct spectral lines and…

Materials Science · Physics 2025-05-19 Vojtěch Chlan , Anna A. Shmyreva , Helena Štěpánková