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Title: Phonon-mediated high-T c superconductivity in hole-doped diamond-like crystalline hydrocarbon

Abstract

We here predict by ab initio calculations phonon-mediated high-T c superconductivity in hole-doped diamond-like cubic crystalline hydrocarbon K 4-CH (space group I2 1/3). This material possesses three key properties: (i) an all-sp 3 covalent carbon framework that produces high-frequency phonon modes, (ii) a steep-rising electronic density of states near the top of the valence band, and (iii) a Fermi level that lies in the σ-band, allowing for a strong coupling with the C-C bond-stretching modes. The simultaneous presence of these properties generates remarkably high superconducting transition temperatures above 80 K at an experimentally accessible hole doping level of only a few percent. These results identify a new extraordinary electron-phonon superconductor and pave the way for further exploration of this novel superconducting covalent metal.

Authors:
 [1];  [2];  [3];  [4]
  1. Chinese Academy of Sciences (CAS), Beijing (China). Inst. of Physics. Beijing National Lab. for Condensed Matter Physics (BNLCP-CAS)
  2. Chinese Academy of Sciences (CAS), Beijing (China). Inst. of Physics. Beijing National Lab. for Condensed Matter Physics (BNLCP-CAS); Univ. of Chinese Academy of Sciences, Beijing (China). School of Physics
  3. Tsinghua Univ., Beijing (China). Dept. of Physics and State Key Lab. of Low-Dimensional Quantum Physics
  4. Univ. of Nevada, Las Vegas, NV (United States). Dept. of Physics and High Pressure Science and Engineering Center
Publication Date:
Research Org.:
Board of Regents Nevada System of Higher Education, Las Vegas, NV (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); National Natural Science Foundation of China (NNSFC); Chinese Academy of Sciences
OSTI Identifier:
1368349
Grant/Contract Number:
NA0001982; 11274356; 11674364; XDB07000000; 2016YFA0301001
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 7; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Condensed-matter physics; Theory and computation

Citation Formats

Lian, Chao-Sheng, Wang, Jian-Tao, Duan, Wenhui, and Chen, Changfeng. Phonon-mediated high-T c superconductivity in hole-doped diamond-like crystalline hydrocarbon. United States: N. p., 2017. Web. doi:10.1038/s41598-017-01541-6.
Lian, Chao-Sheng, Wang, Jian-Tao, Duan, Wenhui, & Chen, Changfeng. Phonon-mediated high-T c superconductivity in hole-doped diamond-like crystalline hydrocarbon. United States. doi:10.1038/s41598-017-01541-6.
Lian, Chao-Sheng, Wang, Jian-Tao, Duan, Wenhui, and Chen, Changfeng. Wed . "Phonon-mediated high-T c superconductivity in hole-doped diamond-like crystalline hydrocarbon". United States. doi:10.1038/s41598-017-01541-6. https://www.osti.gov/servlets/purl/1368349.
@article{osti_1368349,
title = {Phonon-mediated high-T c superconductivity in hole-doped diamond-like crystalline hydrocarbon},
author = {Lian, Chao-Sheng and Wang, Jian-Tao and Duan, Wenhui and Chen, Changfeng},
abstractNote = {We here predict by ab initio calculations phonon-mediated high-T c superconductivity in hole-doped diamond-like cubic crystalline hydrocarbon K4-CH (space group I21/3). This material possesses three key properties: (i) an all-sp3 covalent carbon framework that produces high-frequency phonon modes, (ii) a steep-rising electronic density of states near the top of the valence band, and (iii) a Fermi level that lies in the σ-band, allowing for a strong coupling with the C-C bond-stretching modes. The simultaneous presence of these properties generates remarkably high superconducting transition temperatures above 80 K at an experimentally accessible hole doping level of only a few percent. These results identify a new extraordinary electron-phonon superconductor and pave the way for further exploration of this novel superconducting covalent metal.},
doi = {10.1038/s41598-017-01541-6},
journal = {Scientific Reports},
number = 1,
volume = 7,
place = {United States},
year = {Wed May 03 00:00:00 EDT 2017},
month = {Wed May 03 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
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  • The {ital A}CuO{sub 2} compounds---containing only CuO{sub 2} planes separated by {ital A} ions---are the basic ``building blocks`` of the more complex high-{ital T}{sub {ital c}} superconductors. Trivalently doped Sr{sub {ital x}}Nd{sub 1{minus}{ital x}}CuO{sub 2{minus}{delta}} thin films are shown to superconduct with the appearance of a phonon-drag contribution to the thermopower at the superconducting doping threshold. A monotonic increase in this phonon-drag contribution with {ital T}{sub {ital c}} suggests that electron-phonon interactions play an important role in the pairing mechanism. A correlation between the deduced BCS coupling constants and {ital T}{sub {ital c}} is consistent with strong-coupling theory.
  • Samples of La/sub 2-//sub x/Sr/sub x/CuO/sub 4-//sub delta/ have previously shown a maximum concentration of p = 0.15 holes per (CuO/sub 2/) unit, because increasing x>0.15 normally induces compensating oxygen vacancies. Annealing samples in 100 bars of oxygen pressure fills the oxygen vacancies and greatly increases the range of accessible hole concentrations, up to p = 0.40 (or effectively Cu/sup +2.40/). We find that T/sub c/ is constant at approx.36 K from p = 0.15 to 0.24, where it begins to decrease. Beyond papprox. =0.32, superconductivity disappears, even though the samples are more conducting.
  • Using results from previous work on a spin-polaron model of high-{ital T}{sub {ital c}} superconductivity, together with a hole-filling mechanism, excellent agreement with experimental data for {ital T}{sub {ital c}} in Y-Ba-Cu-O and Pr-Ba-Cu-O alloys and layered structures is obtained without introducing either pair breaking by the Pr ions or pairing interactions between unit cells.
  • We compare the electronic structure of [ital n]-type and [ital p]-type dopable high-[ital T][sub [ital c]] cuprates, namely the hole-doped Nd[sub 1.4]Ce[sub 0.2]Sr[sub 0.4]CuO[sub 4[minus][delta]] ([ital T][sup *]) system as well as the electron-doped Nd[sub 2[minus][ital x]]Ce[sub [ital x]]CuO[sub 4[minus][delta]] ([ital T][prime]) and Sr[sub 0.85]Nd[sub 0.15]CuO[sub 2[minus][delta]] ( infinite-layer'') systems. Investigations were done mainly by means of core-level and valence-band photoemission spectroscopy. Also we performed auxiliary measurements of Hall effect and magnetic susceptibility. From the investigations on the Cu-O layers we propose that one criterion for electron dopability in high-[ital T][sub [ital c]] cuprates is a comparatively high value ofmore » the Cu 3[ital d] Coulomb interaction [ital U][sub [ital d][ital d]]. This is concluded from model calculations on core-level and valence-band spectra. Also the superconducting infinite-layer compound Sr[sub 0.85]Nd[sub 0.15]CuO[sub 2[minus][delta]] exhibits (besides a remarkably low Cu-O hybridization) this enhanced value of [ital U][sub [ital d][ital d]]. For the rare-earth layers of [ital T][prime] and [ital T][sup *] we find small but characteristic differences in the electronic properties (Nd-O-hybridization and charge-transfer energy), which can be attributed to structural differences.« less
  • Magnetic characterization has been performed on the members of the cuprate-niobate RBa{sub 2}Cu{sub 2}NbO{sub 8} (R = Pr, Nd, and La) series and R{sub 1.5}Ce{sub 0.5}Sr{sub 2}Cu{sub 2}NbO{sub 10} (R = Pr, Eu, Nd, and Sm) series. The PrBCNO samples show a signature in the magnetization of a magnetic ordering at 12K. The PrCSCNO sample is nonsuperconducting and shows two distinct orderings at 17K and 53K. No such magnetic phase transition is observed down to 2K in the Nd and La based RBCNO materials or the Nd, Sm, and Eu based RCSCNO materials. Measurements of the lower critical field curve,more » dc irreversibility line, and critical current densities are reported for each of the superconducting NdCSCNO, SmCSCNO, and EuCSCNO compounds.« less