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Title: Theoretical Discovery of a Superconducting Two-Dimensional Metal–Organic Framework

Abstract

Superconductivity is a fascinating quantum phenomenon characterized by zero electrical resistance and the Meissner effect. To date, several distinct families of superconductors (SCs) have been discovered. These include three-dimensional (3D) bulk SCs in both inorganic and organic materials as well as two-dimensional (2D) thin film SCs but only in inorganic materials. Here we predict superconductivity in 2D and 3D organic metal–organic frameworks by using first-principles calculations. We show that the highly conductive and recently synthesized Cu-benzenehexathial (BHT) is a Bardeen–Cooper–Schrieffer SC. Remarkably, the monolayer Cu-BHT has a critical temperature (Tc) of 4.43 K, while Tc of bulk Cu-BHT is 1.58 K. Different from the enhanced Tc in 2D inorganic SCs which is induced by interfacial effects, the Tc enhancement in this 2D organic SC is revealed to be the out-of-plane soft-mode vibrations, analogous to surface mode enhancement originally proposed by Ginzburg. Our findings not only shed new light on better understanding 2D superconductivity but also open a new direction to search for SCs by interface engineering with organic materials.

Authors:
 [1];  [2];  [3];  [4]; ORCiD logo [5]
  1. School of Physics and State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100, China; Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, United States; Institute for Advanced Study, Tsinghua University, Beijing 100084, China
  2. Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, United States
  3. School of Physics and State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100, China; Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, United States
  4. School of Physics and State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100, China
  5. Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, United States; Collaborative Innovation Center of Quantum Matter, Beijing 100084, China
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1484738
DOE Contract Number:  
FG02-04ER46148
Resource Type:
Journal Article
Journal Name:
Nano Letters
Additional Journal Information:
Journal Volume: 17; Journal Issue: 10; Journal ID: ISSN 1530-6984
Country of Publication:
United States
Language:
English

Citation Formats

Zhang, Xiaoming, Zhou, Yinong, Cui, Bin, Zhao, Mingwen, and Liu, Feng. Theoretical Discovery of a Superconducting Two-Dimensional Metal–Organic Framework. United States: N. p., 2017. Web. doi:10.1021/acs.nanolett.7b02795.
Zhang, Xiaoming, Zhou, Yinong, Cui, Bin, Zhao, Mingwen, & Liu, Feng. Theoretical Discovery of a Superconducting Two-Dimensional Metal–Organic Framework. United States. doi:10.1021/acs.nanolett.7b02795.
Zhang, Xiaoming, Zhou, Yinong, Cui, Bin, Zhao, Mingwen, and Liu, Feng. Fri . "Theoretical Discovery of a Superconducting Two-Dimensional Metal–Organic Framework". United States. doi:10.1021/acs.nanolett.7b02795.
@article{osti_1484738,
title = {Theoretical Discovery of a Superconducting Two-Dimensional Metal–Organic Framework},
author = {Zhang, Xiaoming and Zhou, Yinong and Cui, Bin and Zhao, Mingwen and Liu, Feng},
abstractNote = {Superconductivity is a fascinating quantum phenomenon characterized by zero electrical resistance and the Meissner effect. To date, several distinct families of superconductors (SCs) have been discovered. These include three-dimensional (3D) bulk SCs in both inorganic and organic materials as well as two-dimensional (2D) thin film SCs but only in inorganic materials. Here we predict superconductivity in 2D and 3D organic metal–organic frameworks by using first-principles calculations. We show that the highly conductive and recently synthesized Cu-benzenehexathial (BHT) is a Bardeen–Cooper–Schrieffer SC. Remarkably, the monolayer Cu-BHT has a critical temperature (Tc) of 4.43 K, while Tc of bulk Cu-BHT is 1.58 K. Different from the enhanced Tc in 2D inorganic SCs which is induced by interfacial effects, the Tc enhancement in this 2D organic SC is revealed to be the out-of-plane soft-mode vibrations, analogous to surface mode enhancement originally proposed by Ginzburg. Our findings not only shed new light on better understanding 2D superconductivity but also open a new direction to search for SCs by interface engineering with organic materials.},
doi = {10.1021/acs.nanolett.7b02795},
journal = {Nano Letters},
issn = {1530-6984},
number = 10,
volume = 17,
place = {United States},
year = {2017},
month = {9}
}