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The density of states and the band diagrams were computed for diamond, cubic boron nitrde (cBN), and hexagonal boron nitride (hBN) using a Korringa-Kohn-Rostoker (KKR) scheme to investigate the shift of the Fermi level by impurity-atom…

材料科学 · 物理学 2014-12-11 Koji Kobashi

We discuss the character of states near the Fermi level in Mn doped GaAs, as revealed by a survey of dc transport and optical studies over a wide range of Mn concentrations. A thermally activated valence band contribution to dc transport, a…

The magnetic and electronic structures of $3d$ impurity atoms from Sc to Zn in ferromagnetic body-centered cubic iron are investigated using the all-electron full-potential linearized augmented plane-wave method based on the generalized…

材料科学 · 物理学 2010-05-25 Gul Rahman , In Gee Kim , H. K. D. H. Bhadeshia , Arthur J. Freeman

X-ray absorption (XAS) and emission (XES) spectroscopy near B-K and C-K edges have been performed on metallic (~1at%B, B-diamond) and semiconducting (~0.1at%B and N, BN-diamond) doped-diamond films. Both B-K XAS and XES spectra shows…

The doping of quantum Heisenberg antiferromagnets on the kagome lattice by non-magnetic impurities is investigated within the framework of a generalized quantum dimer model (QDM) describing a) the valence bond crystal (VBC), b) the dimer…

强关联电子 · 物理学 2010-11-29 D. Poilblanc , A. Ralko

Comparison of periodic B dopants with a random alloy of substitional boron in diamond is carried out using several supercells and the coherent potential approximation (CPA) for the random alloy case. The main peak in the B local density of…

超导电性 · 物理学 2007-05-23 K. -W. Lee , W. E. Pickett

We have quantified substitutional impurity concentrations in synthetic diamond crystals down to sub parts-per-billion levels. The capture lifetimes of electrons and excitons injected by photoexcitation were compared for several samples with…

材料科学 · 物理学 2018-09-12 Takaaki Shimomura , Yoshiki Kubo , Julien Barjon , Norio Tokuda , Ikuko Akimoto , Nobuko Naka

Discovery of superconductivity in the impurity band formed by heavy doping of boron into diamond (C:B) as well as doping of boron into silicon (Si:B) has provided a rout for the possibility of new families of superconducting materials.…

强关联电子 · 物理学 2011-01-28 H. Hassanian Arefi , S. A. Jafari , M. R. Abolhassani

Quantum technologies based on quantum point defects in crystals require control over the defect charge state. Here we tune the charge state of shallow nitrogen-vacancy and silicon-vacancy centers by locally oxidizing a hydrogenated surface…

Heavy carbon doping of MgB$_2$ is studied by first principles electronic structure studies of two types, an ordered supercell (Mg(B$_{1-x}$C$_{x}$)$_{2}$,x=0.0833) and also the coherent potential approximation method that incorporates…

超导电性 · 物理学 2007-05-23 Deepa Kasinathan , K. -W. Lee , W. E. Pickett

Based on the calculation and analysis of local Green functions of impurity atoms of low concentration in a two-dimensional graphene lattice, the conditions for the formation and characteristics of local discrete levels with energies lying…

介观与纳米尺度物理 · 物理学 2025-07-03 S. B. Feodosyev , V. A. Sirenko , E. S. Syrkin , E. V. Manzhelii , I. S. Bondar , K. A. Minakova

To reveal the relative importance of charge doping and defect scattering in substitutionally modified 122 iron pnictides, we perform a systematic first principles study on selected bands at the Fermi level. Disorder effects are induced by…

超导电性 · 物理学 2016-09-21 Alexander Herbig , Rolf Heid , Jörg Schmalian

For the prototype diluted ferromagnetic semiconductor (Ga,Mn)As, there is a fundamental concern about the electronic states near the Fermi level, i.e., whether the Fermi level resides in a well-separated impurity band derived from Mn doping…

Many correlated metallic materials are described by Landau Fermi-liquid theory at low energies, but for Hund metals the Fermi-liquid coherence scale $T_{\text{FL}}$ is found to be surprisingly small. In this Letter, we study the simplest…

强关联电子 · 物理学 2020-04-08 Y. Wang , E. Walter , S. -S. B. Lee , K. M. Stadler , J. von Delft , A. Weichselbaum , G. Kotliar

Using the density matrix renormalization group (DMRG) method, we study the quantum coherence in one-dimensional disordered Fermi systems. We consider in detail spinless fermions on a ring, and compare the influence of several kinds of…

强关联电子 · 物理学 2017-09-27 C. Schuster , U. Eckern

Effect of doping of graphene either by Boron (B), Nitrogen (N) or co-doped by B and N is studied using density functional theory. Our extensive band structure and density of states calculations indicate that upon doping by N (electron…

介观与纳米尺度物理 · 物理学 2012-07-31 Sugata Mukherjee , T. P. Kaloni

Recent advances in the characterization of hexagonal-diamond silicon (2H-Si) have shown that this material possesses remarkably different structural, electronic, and optical properties as compared to the common cubic-diamond (3C) polytype.…

材料科学 · 物理学 2024-10-22 Marc Túnica , Alberto Zobelli , Michele Amato

The transport and optical properties of the Nb-doped Cs(V$_{1-x}$Nb$_{x}$)$_{3}$Sb$_{5}$ with x = 0.03 and 0.07 have been investigated and compared with those of the undoped CsV$_{3}$Sb$_{5}$. Upon Nb doping, the charge-density wave (CDW)…

超导电性 · 物理学 2023-03-15 Xiaoxiang Zhou , Yongkai Li , Zhe Liu , Jiahao Hao , Yaomin Dai , Zhiwei Wang , Yugui Yao , Hai-Hu Wen

Nanodiamond (ND) hosting nitrogen-vacancy (NV) centers is a promising platform for quantum sensing applications. Sensitivity of the applications using NV centers in NDs is often limited due to presence of paramagnetic impurity contents near…

材料科学 · 物理学 2019-06-21 Zaili Peng , Timur Biktagirov , Franklin H. Cho , Uwe Gerstmann , Susumu Takahashi

Here we report the fabrication of stable, shallow (< 5 nm) nitrogen-vacancy (NV) centers in diamond by nitrogen delta doping at the last stage of the chemical vapor deposition (CVD) growth process. The NVs are stabilized after treating the…

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