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The magnetic and electrical properties of nitrogen doped diamond system have been studied within the framework of a density functional theoretical approach. Spin-polarised calculations reveal that only the nitrogen doped system with…

Materials Science · Physics 2025-05-08 Homnath Luitel

Density functional theory based First Principles calculations were used to study the effect of Silicon (Si) doping on the structural, electronic and optical properties of CsCaI3. From our calculations, we predict that CsCaI3 can form stable…

Materials Science · Physics 2022-11-29 Krishnaraj Kundavu , Parveen Kumar , R. P. Chauhan

In this paper we present a thorough first-principles based density functional theory study of the structural stability, electronic, magnetic, and optical properties of pristine and doped gallium phosphide (GaP) monolayers. The pristine GaP…

Materials Science · Physics 2023-09-26 Khushboo Dange , Rachana Yogi , Alok Shukla

We consider a holographic superconductor with homogeneous impurities added. We start with the holographic Abelian-Higgs model for s-wave superconductivity, and turn on a coupling between the gauge field and a new massive gauge field that is…

High Energy Physics - Theory · Physics 2015-06-12 Takaaki Ishii , Sang-Jin Sin

We present the results of directional point-contact spectroscopy in state-of-the-art Mg_{1-x}Al_xB_2 and Mg(B_{1-y}C_{y})_2 single crystals produced at ETH, Zurich. Fitting the conductance curves of our point contacts, that always feature…

Ordinary doping by electrons (holes) generally means that the Fermi level shifts towards the conduction band (valence band) and that the conductivity of free carriers increases. Recently, however, some peculiar doping characteristics were…

Materials Science · Physics 2019-03-27 Qihang Liu , Gustavo M. Dalpian , Alex Zunger

It is shown that a non-magnetic metallic band in the presence of an antiferromagnetic background coupled only by the exchange interaction develops a superconducting instability similar to the one described by BCS theory plus additional…

Superconductivity · Physics 2013-09-03 Fernando A. Reboredo

We substantiate by calculations that the recently discovered superconductivity below 4 K in 3% boron-doped diamond is caused by electron-phonon coupling of the same type as in MgB$_2$, albeit in 3 dimensions. Holes at the top of the…

Superconductivity · Physics 2007-05-23 Lilia Boeri , Jens Kortus , O. K. Andersen

The single impurity effect on the graphene-based superconductor is studied theoretically. Four different pairing symmetries are discussed. Sharp resonance peaks are found near the impurity site for the $d+id$-wave pairing symmetry and the…

Superconductivity · Physics 2021-01-20 Yuan-Qiao Li , Tao Zhou

We investigate the strong correlation effect in the spinless electron-hole two-band Hubbard model using the dynamical mean-field theory. At half filling, both the renormalization factor $Z$ and the number of conduction electrons (valence…

Strongly Correlated Electrons · Physics 2026-05-26 Masashi Akiyama , Yusuke Inokuma , Yoshiaki Ono

The nitrogen-vacancy center in diamond is a promising candidate for realizing the spin qubits concept in quantum information. Even though this defect is known for a long time, its electronic structure and other properties have not yet been…

Other Condensed Matter · Physics 2008-06-24 Adam Gali , Maria Fyta , Efthimios Kaxiras

A new doping mechanism is described, whereby a doping impurity does not simply transfer charge to the bands of a host semiconductor or semimetal, but rearranges the core energy levels deep in the valence band of the host. This, in turn,…

Materials Science · Physics 2016-04-04 Hyungyu Jin , Bartlomiej Wiendlocha , Joseph P. Heremans

The claims that a copper-substituted lead apatite, denoted as CuPb$_9$(PO$_4$)$_6$OH$_2$, could be a room-temperature superconductor have led to an intense research activity. While other research groups did not confirm these claims, and the…

Superconductivity · Physics 2023-10-24 Omid Tavakol , Thomas Scaffidi

In a recent Physical Review Letter Kortus et al. claim that the observed decrease of $T_c$ in Al and C doped MgB$_2$ samples is mainly due to the band filling by the electron doping but for a fuller understanding of the different behavior…

Superconductivity · Physics 2009-01-08 P. Samuely , P. Szabo , P. C. Canfield , S. L. Bud'ko

The iron-based superconductors allow for a zoo of possible order parameters due to their orbital degrees of freedom. These order parameters are often written in an orbital basis, as this allows to distinguish their different symmetry.…

Superconductivity · Physics 2013-11-11 Mark H Fischer

Using the fluctuation-exchange (FLEX) approximation we study an effective five-band Hubbard model for iron-pnictide superconductors obtained from the first-principles band structure. We preclude deformations of the Fermi surface due to…

Superconductivity · Physics 2010-02-24 Hiroaki Ikeda , Ryotaro Arita , Jan Kuneš

Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find…

Computational Physics · Physics 2016-03-17 Weiyang Yu , Zhili Zhu , Chun-Yao Niu , Chong Li , Jun-Hyung Cho , Yu Jia

Experiments on the iron-pnictide superconductors appear to show some materials where the ground state is fully gapped, and others where low-energy excitations dominate, possibly indicative of gap nodes. Within the framework of a 5-orbital…

Superconductivity · Physics 2015-03-13 A. F. Kemper , T. A. Maier , S. Graser , H. -P. Cheng , P. J. Hirschfeld , D. J. Scalapino

Superconductivity in few-layer semiconducting transition metal dichalcogenides (TMDs) can be induced by field-effect doping through ionic-liquid gating. While several experimental observations have been collected over the years, a…

Superconductivity · Physics 2024-09-24 Thibault Sohier , Marco Gibertini , Ivar Martin , Alberto F. Morpurgo

We report the first experimental observation of a doubly-charged defect in diamond, SiV2-, in silicon and nitrogen co-doped samples. We measure spectroscopic signatures we attribute to substitutional silicon in diamond, and identify a…

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