Superconductivity and unexpected chemistry of germanium hydrides under pressure

Davari Esfahani, M. Mahdi; Oganov, Artem R.; Niu, Haiyang; Zhang, Jin

doi:10.1103/PhysRevB.95.134506

Title: Superconductivity and unexpected chemistry of germanium hydrides under pressure

Authors:: Davari Esfahani, M. Mahdi; Oganov, Artem R.; Niu, Haiyang; Zhang, Jin

Publication Date:: Mon Apr 10 00:00:00 EDT 2017

Sponsoring Org.:: USDOE

OSTI Identifier:: 1351038

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Name: Physical Review B Journal Volume: 95 Journal Issue: 13; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Davari Esfahani, M. Mahdi, Oganov, Artem R., Niu, Haiyang, and Zhang, Jin. Superconductivity and unexpected chemistry of germanium hydrides under pressure.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevB.95.134506.

Copy to clipboard


                    Davari Esfahani, M. Mahdi, Oganov, Artem R., Niu, Haiyang, & Zhang, Jin. Superconductivity and unexpected chemistry of germanium hydrides under pressure.  United States.  https://doi.org/10.1103/PhysRevB.95.134506

Copy to clipboard


                    Davari Esfahani, M. Mahdi, Oganov, Artem R., Niu, Haiyang, and Zhang, Jin. Mon .  
"Superconductivity and unexpected chemistry of germanium hydrides under pressure".  United States.  https://doi.org/10.1103/PhysRevB.95.134506.

Copy to clipboard


                    
@article{osti_1351038,

  title        = {Superconductivity and unexpected chemistry of germanium hydrides under pressure},

  author       = {Davari Esfahani, M. Mahdi and Oganov, Artem R. and Niu, Haiyang and Zhang, Jin},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.95.134506},

  journal      = {Physical Review B},

  number       = 13,

  volume       = 95,

  place        = {United States},

  year         = {Mon Apr 10 00:00:00 EDT 2017},

  month        = {Mon Apr 10 00:00:00 EDT 2017}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.95.134506

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 14 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Van Hove singularities and spectral smearing in high-temperature superconducting $H_{3} S$
journal, March 2016

Quan, Yundi; Pickett, Warren E.
Physical Review B, Vol. 93, Issue 10
DOI: 10.1103/PhysRevB.93.104526

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

Ab initio study of germanium-hydride compounds under high pressure
journal, January 2015

Hou, PuGeng; Tian, FuBo; Li, Da
RSC Advances, Vol. 5, Issue 25
DOI: 10.1039/C4RA13183E

Transition temperature of strong-coupled superconductors reanalyzed
journal, August 1975

Allen, P. B.; Dynes, R. C.
Physical Review B, Vol. 12, Issue 3
DOI: 10.1103/PhysRevB.12.905

Metallic Hydrogen: A High-Temperature Superconductor?
journal, December 1968

Ashcroft, N. W.
Physical Review Letters, Vol. 21, Issue 26
DOI: 10.1103/PhysRevLett.21.1748

Structure of phase III of solid hydrogen
journal, May 2007

Pickard, Chris J.; Needs, Richard J.
Nature Physics, Vol. 3, Issue 7
DOI: 10.1038/nphys625

Unexpected Stable Stoichiometries of Sodium Chlorides
journal, December 2013

Zhang, W.; Oganov, A. R.; Goncharov, A. F.
Science, Vol. 342, Issue 6165
DOI: 10.1126/science.1244989

Superconductivity in compressed hydrogen-rich materials: Pressing on hydrogen
journal, July 2015

Struzhkin, Viktor V.
Physica C: Superconductivity and its Applications, Vol. 514
DOI: 10.1016/j.physc.2015.02.017

Projector augmented-wave method
journal, December 1994

Blöchl, P. E.
Physical Review B, Vol. 50, Issue 24, p. 17953-17979
DOI: 10.1103/PhysRevB.50.17953

Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system
journal, March 2016

Errea, Ion; Calandra, Matteo; Pickard, Chris J.
Nature, Vol. 532, Issue 7597
DOI: 10.1038/nature17175

Solid-state structures of the covalent hydrides germane and stannane
journal, May 2008

Maley, Iain J.; Brown, Daniel H.; Ibberson, Richard M.
Acta Crystallographica Section B Structural Science, Vol. 64, Issue 3
DOI: 10.1107/S0108768108010379

New developments in evolutionary structure prediction algorithm USPEX
journal, April 2013

Lyakhov, Andriy O.; Oganov, Artem R.; Stokes, Harold T.
Computer Physics Communications, Vol. 184, Issue 4
DOI: 10.1016/j.cpc.2012.12.009

Structural transitions of solid germane under pressure
journal, June 2010

Zhang, Chao; Chen, Xiao-Jia; Li, Yan-Ling
EPL (Europhysics Letters), Vol. 90, Issue 6
DOI: 10.1209/0295-5075/90/66006

Theoretical prediction of the high-pressure phase $Ge - Cmca$
journal, November 2000

Ribeiro, Filipe J.; Cohen, Marvin L.
Physical Review B, Vol. 62, Issue 17
DOI: 10.1103/PhysRevB.62.11388

Special points for Brillouin-zone integrations
journal, June 1976

Monkhorst, Hendrik J.; Pack, James D.
Physical Review B, Vol. 13, Issue 12, p. 5188-5192
DOI: 10.1103/PhysRevB.13.5188

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
DOI: 10.1088/0953-8984/21/39/395502

Theory of Superconductivity
journal, December 1957

Bardeen, J.; Cooper, L. N.; Schrieffer, J. R.
Physical Review, Vol. 108, Issue 5
DOI: 10.1103/PhysRev.108.1175

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

First principles phonon calculations in materials science
journal, November 2015

Togo, Atsushi; Tanaka, Isao
Scripta Materialia, Vol. 108
DOI: 10.1016/j.scriptamat.2015.07.021

Band structure and electron-phonon coupling in $H_{3} S$ : A tight-binding model
journal, August 2016

Ortenzi, L.; Cappelluti, E.; Pietronero, L.
Physical Review B, Vol. 94, Issue 6
DOI: 10.1103/PhysRevB.94.064507

Structural, Electronic, Dynamical, and Superconducting Properties in Dense GeH ₄ (H ₂ ) ₂
journal, February 2012

Zhong, Guohua; Zhang, Chao; Chen, Xiaojia
The Journal of Physical Chemistry C, Vol. 116, Issue 8
DOI: 10.1021/jp211051r

Polyhydrides of the Alkaline Earth Metals: A Look at the Extremes under Pressure
journal, February 2013

Hooper, James; Altintas, Bahadir; Shamp, Andrew
The Journal of Physical Chemistry C, Vol. 117, Issue 6
DOI: 10.1021/jp311571n

Investigation of stable germane structures under high-pressure
journal, January 2015

Zhang, Huadi; Jin, Xilian; Lv, Yunzhou
Physical Chemistry Chemical Physics, Vol. 17, Issue 41
DOI: 10.1039/C5CP03807C

Pressure-induced decomposition of solid hydrogen sulfide
journal, May 2015

Duan, Defang; Huang, Xiaoli; Tian, Fubo
Physical Review B, Vol. 91, Issue 18
DOI: 10.1103/PhysRevB.91.180502

Ionic high-pressure form of elemental boron
journal, January 2009

Oganov, Artem R.; Chen, Jiuhua; Gatti, Carlo
Nature, Vol. 457, Issue 7231
DOI: 10.1038/nature07736

Superconductivity in Hydrogen Dominant Materials: Silane
journal, March 2008

Eremets, M. I.; Trojan, I. A.; Medvedev, S. A.
Science, Vol. 319, Issue 5869
DOI: 10.1126/science.1153282

Superconductivity of novel tin hydrides (SnnHm) under pressure
journal, March 2016

Mahdi Davari Esfahani, M.; Wang, Zhenhai; Oganov, Artem R.
Scientific Reports, Vol. 6, Issue 1
DOI: 10.1038/srep22873

Tellurium Hydrides at High Pressures: High-Temperature Superconductors
journal, February 2016

Zhong, Xin; Wang, Hui; Zhang, Jurong
Physical Review Letters, Vol. 116, Issue 5
DOI: 10.1103/PhysRevLett.116.057002

Hydrogen Dominant Metallic Alloys: High Temperature Superconductors?
journal, May 2004

Ashcroft, N. W.
Physical Review Letters, Vol. 92, Issue 18
DOI: 10.1103/PhysRevLett.92.187002

Superconducting High Pressure Phase of Germane
journal, September 2008

Gao, Guoying; Oganov, Artem R.; Bergara, Aitor
Physical Review Letters, Vol. 101, Issue 10
DOI: 10.1103/PhysRevLett.101.107002

Superconducting Behavior in Compressed Solid ${SiH}_{4}$ with a Layered Structure
journal, August 2008

Chen, Xiao-Jia; Wang, Jiang-Long; Struzhkin, Viktor V.
Physical Review Letters, Vol. 101, Issue 7
DOI: 10.1103/PhysRevLett.101.077002

Superconductive sodalite-like clathrate calcium hydride at high pressures
journal, April 2012

Wang, H.; Tse, J. S.; Tanaka, K.
Proceedings of the National Academy of Sciences, Vol. 109, Issue 17
DOI: 10.1073/pnas.1118168109

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
journal, December 2015

Mannix, A. J.; Zhou, X. -F.; Kiraly, B.
Science, Vol. 350, Issue 6267
DOI: 10.1126/science.aad1080

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system
journal, August 2015

Drozdov, A. P.; Eremets, M. I.; Troyan, I. A.
Nature, Vol. 525, Issue 7567
DOI: 10.1038/nature14964

Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity
journal, November 2014

Duan, Defang; Liu, Yunxian; Tian, Fubo
Scientific Reports, Vol. 4, Issue 1
DOI: 10.1038/srep06968

How Evolutionary Crystal Structure Prediction Works—and Why
journal, March 2011

Oganov, Artem R.; Lyakhov, Andriy O.; Valle, Mario
Accounts of Chemical Research, Vol. 44, Issue 3
DOI: 10.1021/ar1001318

Decomposition Products of Phosphine Under Pressure: PH ₂ Stable and Superconducting?
journal, February 2016

Shamp, Andrew; Terpstra, Tyson; Bi, Tiange
Journal of the American Chemical Society, Vol. 138, Issue 6
DOI: 10.1021/jacs.5b10180

Superconducting high-pressure phase of platinum hydride from first principles
journal, August 2011

Zhou, Xiang-Feng; Oganov, Artem R.; Dong, Xiao
Physical Review B, Vol. 84, Issue 5
DOI: 10.1103/PhysRevB.84.054543

Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials
journal, January 2010

Oganov, A. R.; Ma, Y.; Lyakhov, A. O.
Reviews in Mineralogy and Geochemistry, Vol. 71, Issue 1
DOI: 10.2138/rmg.2010.71.13

USPEX—Evolutionary crystal structure prediction
journal, December 2006

Glass, Colin W.; Oganov, Artem R.; Hansen, Nikolaus
Computer Physics Communications, Vol. 175, Issue 11-12
DOI: 10.1016/j.cpc.2006.07.020

Novel Pressure-Induced Interactions in Silane-Hydrogen
journal, August 2009

Strobel, Timothy A.; Somayazulu, Maddury; Hemley, Russell J.
Physical Review Letters, Vol. 103, Issue 6
DOI: 10.1103/PhysRevLett.103.065701

How to predict very large and complex crystal structures
journal, September 2010

Lyakhov, Andriy O.; Oganov, Artem R.; Valle, Mario
Computer Physics Communications, Vol. 181, Issue 9
DOI: 10.1016/j.cpc.2010.06.007

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Kohn, W.; Sham, L. J.
Physical Review, Vol. 140, Issue 4A, p. A1133-A1138
DOI: 10.1103/PhysRev.140.A1133

Similar Records in DOE PAGES and OSTI.GOV collections:

Tuning chemical precompression: Theoretical design and crystal chemistry of novel hydrides in the quest for warm and light superconductivity at ambient pressures

Journal Article Hilleke, Katerina P. ; Zurek, Eva - Journal of Applied Physics

Over the past decade, a combination of crystal structure prediction techniques and experimental synthetic work has thoroughly explored the phase diagrams of binary hydrides under pressure. The fruitfulness of this dual approach is demonstrated in the recent identification of several superconducting hydrides with T_cs approaching room temperature. We start with an overview of the computational procedures for predicting stable structures and estimating their propensity for superconductivity. A survey of phases with high T_c reveals some common structural features that appear conducive to the strong coupling of the electronic structure with atomic vibrations that leads to superconductivity. We discuss the stabilitymore »« less
https://doi.org/10.1063/5.0077748

Full Text Available
SUPERCONDUCTIVITY OF GERMANIUM AND SILICON UNDER HIGH PRESSURE (in German)

Journal Article Buckel, W ; Wittig, J - Phys. Letters
https://doi.org/10.1016/0031-9163(65)90473-7
SUPERCONDUCTIVITY OF GERMANIUM AND SILICON UNDER HIGH PRESSURE (in German)

Journal Article Wittig, J - Zeitschrift fuer Physik (West Germany) Divided into Z. Phys. A and Z. Phys. B
Superconductivity of aluminium doped with germanium and silicon under pressure

Journal Article Degtyareva, V F ; Chipenko, G V ; Ponyatovskii, E G ; ... - Sov. Phys. - Solid State (Engl. Transl.); (United States)

Superconductivity of Al doped with germanium and silicon under pressure and temperature treatments is reported. (AIP)
Electron, Phonon, and Superconducting Properties of Yttrium and Sulfur Hydrides under High Pressures

Journal Article Grishakov, K. S, E-mail: gks88@mail.ru ; Degtyarenko, N. N., E-mail: NNDegtyarenko@mephi.ru ; Mazur, E. A., E-mail: eugen-mazur@mail.ru - Journal of Experimental and Theoretical Physics

We have analyzed the electron, phonon, and superconducting properties of binary hydrides YH{sub 6}, H{sub 3}S, YH{sub 10}, UH{sub 10}, and CaH{sub 10}, as compared to the properties of ternary hydride YS{sub 4}H{sub 4} using a unified physical and computational approach to determining the stability range and the superconducting transition temperature. The normal and superconducting characteristics of ternary hydride YS{sub 4}H{sub 4} at high pressure are calculated. The results for ternary hydride YS{sub 4}H{sub 4} are compared with the properties of YH{sub 6}, H{sub 3}S, YH{sub 10}, UH{sub 10}, and CaH{sub 10} compounds.
https://doi.org/10.1134/S1063776119010072

Similar Records

Title: Superconductivity and unexpected chemistry of germanium hydrides under pressure

Citation Formats

Van Hove singularities and spectral smearing in high-temperature superconducting H 3 S journal, March 2016

Generalized Gradient Approximation Made Simple journal, October 1996

Ab initio study of germanium-hydride compounds under high pressure journal, January 2015

Transition temperature of strong-coupled superconductors reanalyzed journal, August 1975

Metallic Hydrogen: A High-Temperature Superconductor? journal, December 1968

Structure of phase III of solid hydrogen journal, May 2007

Unexpected Stable Stoichiometries of Sodium Chlorides journal, December 2013

Superconductivity in compressed hydrogen-rich materials: Pressing on hydrogen journal, July 2015

Projector augmented-wave method journal, December 1994

Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system journal, March 2016

Solid-state structures of the covalent hydrides germane and stannane journal, May 2008

New developments in evolutionary structure prediction algorithm USPEX journal, April 2013

Structural transitions of solid germane under pressure journal, June 2010

Theoretical prediction of the high-pressure phase Ge − Cmca journal, November 2000

Special points for Brillouin-zone integrations journal, June 1976

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal, September 2009

Theory of Superconductivity journal, December 1957

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

First principles phonon calculations in materials science journal, November 2015

Band structure and electron-phonon coupling in H 3 S : A tight-binding model journal, August 2016

Structural, Electronic, Dynamical, and Superconducting Properties in Dense GeH 4 (H 2 ) 2 journal, February 2012

Polyhydrides of the Alkaline Earth Metals: A Look at the Extremes under Pressure journal, February 2013

Investigation of stable germane structures under high-pressure journal, January 2015

Pressure-induced decomposition of solid hydrogen sulfide journal, May 2015

Ionic high-pressure form of elemental boron journal, January 2009

Superconductivity in Hydrogen Dominant Materials: Silane journal, March 2008

Superconductivity of novel tin hydrides (SnnHm) under pressure journal, March 2016

Tellurium Hydrides at High Pressures: High-Temperature Superconductors journal, February 2016

Hydrogen Dominant Metallic Alloys: High Temperature Superconductors? journal, May 2004

Superconducting High Pressure Phase of Germane journal, September 2008

Superconducting Behavior in Compressed Solid SiH 4 with a Layered Structure journal, August 2008

Superconductive sodalite-like clathrate calcium hydride at high pressures journal, April 2012

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs journal, December 2015

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system journal, August 2015

Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity journal, November 2014

How Evolutionary Crystal Structure Prediction Works—and Why journal, March 2011

Decomposition Products of Phosphine Under Pressure: PH 2 Stable and Superconducting? journal, February 2016

Superconducting high-pressure phase of platinum hydride from first principles journal, August 2011

Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials journal, January 2010

USPEX—Evolutionary crystal structure prediction journal, December 2006

Novel Pressure-Induced Interactions in Silane-Hydrogen journal, August 2009

How to predict very large and complex crystal structures journal, September 2010

Self-Consistent Equations Including Exchange and Correlation Effects journal, November 1965

Van Hove singularities and spectral smearing in high-temperature superconducting $H_{3} S$
journal, March 2016

Generalized Gradient Approximation Made Simple
journal, October 1996

Ab initio study of germanium-hydride compounds under high pressure
journal, January 2015

Transition temperature of strong-coupled superconductors reanalyzed
journal, August 1975

Metallic Hydrogen: A High-Temperature Superconductor?
journal, December 1968

Structure of phase III of solid hydrogen
journal, May 2007

Unexpected Stable Stoichiometries of Sodium Chlorides
journal, December 2013

Superconductivity in compressed hydrogen-rich materials: Pressing on hydrogen
journal, July 2015

Projector augmented-wave method
journal, December 1994

Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system
journal, March 2016

Solid-state structures of the covalent hydrides germane and stannane
journal, May 2008

New developments in evolutionary structure prediction algorithm USPEX
journal, April 2013

Structural transitions of solid germane under pressure
journal, June 2010

Theoretical prediction of the high-pressure phase $Ge - Cmca$
journal, November 2000

Special points for Brillouin-zone integrations
journal, June 1976

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

Theory of Superconductivity
journal, December 1957

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

First principles phonon calculations in materials science
journal, November 2015

Band structure and electron-phonon coupling in $H_{3} S$ : A tight-binding model
journal, August 2016

Structural, Electronic, Dynamical, and Superconducting Properties in Dense GeH ₄ (H ₂ ) ₂
journal, February 2012

Polyhydrides of the Alkaline Earth Metals: A Look at the Extremes under Pressure
journal, February 2013

Investigation of stable germane structures under high-pressure
journal, January 2015

Pressure-induced decomposition of solid hydrogen sulfide
journal, May 2015

Ionic high-pressure form of elemental boron
journal, January 2009

Superconductivity in Hydrogen Dominant Materials: Silane
journal, March 2008

Superconductivity of novel tin hydrides (SnnHm) under pressure
journal, March 2016

Tellurium Hydrides at High Pressures: High-Temperature Superconductors
journal, February 2016

Hydrogen Dominant Metallic Alloys: High Temperature Superconductors?
journal, May 2004

Superconducting High Pressure Phase of Germane
journal, September 2008

Superconducting Behavior in Compressed Solid ${SiH}_{4}$ with a Layered Structure
journal, August 2008

Superconductive sodalite-like clathrate calcium hydride at high pressures
journal, April 2012

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
journal, December 2015

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system
journal, August 2015

Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity
journal, November 2014

How Evolutionary Crystal Structure Prediction Works—and Why
journal, March 2011

Decomposition Products of Phosphine Under Pressure: PH ₂ Stable and Superconducting?
journal, February 2016

Superconducting high-pressure phase of platinum hydride from first principles
journal, August 2011

Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials
journal, January 2010

USPEX—Evolutionary crystal structure prediction
journal, December 2006

Novel Pressure-Induced Interactions in Silane-Hydrogen
journal, August 2009

How to predict very large and complex crystal structures
journal, September 2010

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965