Materials discovery at high pressures

Recent Advances in Superhard Materials

(2016) Zhisheng Zhao et al.   Annual Review of Materials Research

High-Pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides

(2016) Yuhao Fu et al.   CHEMISTRY OF MATERIALS

Prediction of Host–Guest Na–Fe Intermetallics at High Pressures

(2016) Yuanyuan Zhou et al.   INORGANIC CHEMISTRY

Crystal Structure and Superconductivity of PH3 at High Pressures

(2016) Hanyu Liu et al.   Journal of Physical Chemistry C

Decomposition Products of Phosphine Under Pressure: PH2 Stable and Superconducting?

(2016) Andrew Shamp et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Gold as a 6p-Element in Dense Lithium Aurides

(2016) Guochun Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system

(2016) Ion Errea et al.   NATURE

Evidence for a new phase of dense hydrogen above 325 gigapascals

(2016) Philip Dalladay-Simpson et al.   NATURE

Crystal structure of the superconducting phase of sulfur hydride

(2016) Mari Einaga et al.   Nature Physics

Possible “Magnéli” Phases and Self-Alloying in the Superconducting Sulfur Hydride

(2016) Ryosuke Akashi et al.   PHYSICAL REVIEW LETTERS

Tellurium Hydrides at High Pressures: High-Temperature Superconductors

(2016) Xin Zhong et al.   PHYSICAL REVIEW LETTERS

Pressure-induced superconductivity in a three-dimensional topological material ZrTe5

(2016) Yonghui Zhou et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Evidence for bulk superconductivity in pure bismuth single crystals at ambient pressure

(2016) Om Prakash et al.   SCIENCE

Superconductivity of novel tin hydrides (Sn n H m ) under pressure

(2016) M. Mahdi Davari Esfahani et al.   Scientific Reports

Terapascal static pressure generation with ultrahigh yield strength nanodiamond

(2016) N. Dubrovinskaia et al.   Science Advances

Superconducting H5S2 phase in sulfur-hydrogen system under high-pressure

(2016) Takahiro Ishikawa et al.   Scientific Reports

Diverse Chemistry of Stable Hydronitrogens, and Implications for Planetary and Materials Sciences

(2016) Guang-Rui Qian et al.   Scientific Reports

Heating of Li in hydrogen: possible synthesis of LiHx

(2015) K. Kuno et al.   HIGH PRESSURE RESEARCH

Backbone NxH compounds at high pressures

(2015) Alexander F. Goncharov et al.   JOURNAL OF CHEMICAL PHYSICS

Crystalline LiN5 Predicted from First-Principles as a Possible High-Energy Material

(2015) Feng Peng et al.   Journal of Physical Chemistry Letters

Superconducting High-Pressure Phases Composed of Hydrogen and Iodine

(2015) Andrew Shamp et al.   Journal of Physical Chemistry Letters

A Protocol to Fabricate Nanostructured New Phase: B31-Type MnS Synthesized under High Pressure

(2015) Guanjun Xiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Anionic Chemistry of Noble Gases: Formation of Mg–NG (NG = Xe, Kr, Ar) Compounds under Pressure

(2015) Mao-sheng Miao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The most incompressible metal osmium at static pressures above 750 gigapascals

(2015) L. Dubrovinsky et al.   NATURE

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system

(2015) A. P. Drozdov et al.   NATURE

Superconductivity in the metallic elements at high pressures

(2015) J.J. Hamlin   PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS

Stable xenon nitride at high pressures

(2015) Feng Peng et al.   PHYSICAL REVIEW B

What superconducts in sulfur hydrides under pressure and why

(2015) N. Bernstein et al.   PHYSICAL REVIEW B

SuperhardBC3in Cubic Diamond Structure

(2015) Miao Zhang et al.   PHYSICAL REVIEW LETTERS

Anomalous Stress Response of UltrahardWBnCompounds

(2015) Quan Li et al.   PHYSICAL REVIEW LETTERS

High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor

(2015) Ion Errea et al.   PHYSICAL REVIEW LETTERS

A new high-pressure polymeric nitrogen phase in potassium azide

(2015) Meiguang Zhang et al.   RSC Advances

Nitrogen Backbone Oligomers

(2015) Hongbo Wang et al.   Scientific Reports

Pressure-stabilized superconductive yttrium hydrides

(2015) Yinwei Li et al.   Scientific Reports

Stable Lithium Argon compounds under high pressure

(2015) Xiaofeng Li et al.   Scientific Reports

Novel lithium-nitrogen compounds at ambient and high pressures

(2015) Yanqing Shen et al.   Scientific Reports

N2H: a novel polymeric hydronitrogen as a high energy density material

(2015) Ketao Yin et al.   Journal of Materials Chemistry A

High Pressure Electrides: A Predictive Chemical and Physical Theory

(2014) Mao-Sheng Miao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Perspective: Crystal structure prediction at high pressures

(2014) Yanchao Wang et al.   JOURNAL OF CHEMICAL PHYSICS

The metallization and superconductivity of dense hydrogen sulfide

(2014) Yinwei Li et al.   JOURNAL OF CHEMICAL PHYSICS

Nanotwinned diamond with unprecedented hardness and stability

(2014) Quan Huang et al.   NATURE

Experimental and theoretical evidence for an ionic crystal of ammonia at high pressure

(2014) S. Ninet et al.   PHYSICAL REVIEW B

Pressure-Induced Symmetry-Lowering Transition in Dense Nitrogen to Layered Polymeric Nitrogen (LP-N) with Colossal Raman Intensity

(2014) Dane Tomasino et al.   PHYSICAL REVIEW LETTERS

New Iron Hydrides under High Pressure

(2014) Charles M. Pépin et al.   PHYSICAL REVIEW LETTERS

Pressure-induced chemistry in a nitrogen-hydrogen host–guest structure

(2014) Dylan K. Spaulding et al.   Nature Communications

Ammonia as a case study for the spontaneous ionization of a simple hydrogen-bonded compound

(2014) Taras Palasyuk et al.   Nature Communications

Pressure-stabilized lithium caesides with caesium anions beyond the −1 state

(2014) Jorge Botana et al.   Nature Communications

Pressure-induced metallization of dense (H2S)2H2 with high-T c superconductivity

(2014) Defang Duan et al.   Scientific Reports

Pressure-induced transformation and superhard phase in fullerenes: The effect of solvent intercalation

(2013) Mingguang Yao et al.   APPLIED PHYSICS LETTERS

Raman spectroscopy of glassy carbon up to 60 GPa

(2013) N. A. Solopova et al.   APPLIED PHYSICS LETTERS

Novel high-pressure phase with pseudo-benzene “N6” molecule of LiN3

(2013) Meiguang Zhang et al.   EPL

First-principles structural design of superhard materials

(2013) Xinxin Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Evolving Structural Diversity and Metallicity in Compressed Lithium Azide

(2013) Dasari L. V. K. Prasad et al.   Journal of Physical Chemistry C

Ultrahard nanotwinned cubic boron nitride

(2013) Yongjun Tian et al.   NATURE

Caesium in high oxidation states and as a p-block element

(2013) Mao-sheng Miao   Nature Chemistry

Novel stable compounds in the Mg–O system under high pressure

(2013) Qiang Zhu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New perspectives on potential hydrogen storage materials using high pressure

(2013) Yang Song   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High Energy Density Mixed Polymeric Phase from Carbon Monoxide and Nitrogen

(2013) Zamaan Raza et al.   PHYSICAL REVIEW LETTERS

High-Pressure Synthesis and Characterization of Iridium Trihydride

(2013) Thomas Scheler et al.   PHYSICAL REVIEW LETTERS

Global Structural Optimization of Tungsten Borides

(2013) Quan Li et al.   PHYSICAL REVIEW LETTERS

Unexpected Stable Stoichiometries of Sodium Chlorides

(2013) W. Zhang et al.   SCIENCE

Identification of new pillared-layered carbon nitride materials at high pressure

(2013) Ashkan Salamat et al.   Scientific Reports

Creation of Nanostuctures by Extreme Conditions: High-Pressure Synthesis of Ultrahard Nanocrystalline Cubic Boron Nitride

(2012) Vladimir L. Solozhenko et al.   ADVANCED MATERIALS

CALYPSO: A method for crystal structure prediction

(2012) Yanchao Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Phase transition in BCx system under high-pressure and high-temperature: Synthesis of cubic dense BC3 nanostructured phase

(2012) P. V. Zinin et al.   JOURNAL OF APPLIED PHYSICS

Experimental evidence of superionic conduction in H2O ice

(2012) Emiko Sugimura et al.   JOURNAL OF CHEMICAL PHYSICS

Re-emerging superconductivity at 48 kelvin in iron chalcogenides

(2012) Liling Sun et al.   NATURE

Proton Disorder and Superionicity in Hot Dense Ammonia Ice

(2012) S. Ninet et al.   PHYSICAL REVIEW LETTERS

High-Pressure Structures of Disilane and Their Superconducting Properties

(2012) José A. Flores-Livas et al.   PHYSICAL REVIEW LETTERS

Cagelike Diamondoid Nitrogen at High Pressures

(2012) Xiaoli Wang et al.   PHYSICAL REVIEW LETTERS

Superconductive sodalite-like clathrate calcium hydride at high pressures

(2012) H. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The properties of hydrogen and helium under extreme conditions

(2012) Jeffrey M. McMahon et al.   REVIEWS OF MODERN PHYSICS

Long-Range Ordered Carbon Clusters: A Crystalline Material with Amorphous Building Blocks

(2012) L. Wang et al.   SCIENCE

Implementation of micro-ball nanodiamond anvils for high-pressure studies above 6 Mbar

(2012) Leonid Dubrovinsky et al.   Nature Communications

Phase Behavior of H2 + H2O at High Pressures and Low Temperatures

(2011) Timothy A. Strobel et al.   Journal of Physical Chemistry C

Ab initiorandom structure searching

(2011) Chris J Pickard et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

(Barely) Solid Li(NH3)4: The Electronics of an Expanded Metal

(2011) Eva Zurek et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cold melting and solid structures of dense lithium

(2011) Christophe L. Guillaume et al.   Nature Physics

Superconducting state of Ca-VII below a critical temperature of 29 K at a pressure of 216 GPa

(2011) Masafumi Sakata et al.   PHYSICAL REVIEW B

Series of phase transitions in cesium azide under high pressure studied byin situx-ray diffraction

(2011) Dongbin Hou et al.   PHYSICAL REVIEW B

Evolutionary search for superhard materials: Methodology and applications to forms of carbon and TiO2

(2011) Andriy O. Lyakhov et al.   PHYSICAL REVIEW B

Amorphous Diamond: A High-Pressure Superhard Carbon Allotrope

(2011) Yu Lin et al.   PHYSICAL REVIEW LETTERS

Predicted Novel High-Pressure Phases of Lithium

(2011) Jian Lv et al.   PHYSICAL REVIEW LETTERS

Novel Cooperative Interactions and Structural Ordering inH2S−H2

(2011) Timothy A. Strobel et al.   PHYSICAL REVIEW LETTERS

Crystal Structures of Dense Lithium: A Metal-Semiconductor-Metal Transition

(2011) M. Marqués et al.   PHYSICAL REVIEW LETTERS

Rhodium dihydride (RhH2) with high volumetric hydrogen density

(2011) B. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

High pressure partially ionic phase of water ice

(2011) Yanchao Wang et al.   Nature Communications

Recent advances of high-pressure generation in a multianvil apparatus using sintered diamond anvils

(2011) Shuangmeng Zhai et al.   Geoscience Frontiers

XtalOpt: An open-source evolutionary algorithm for crystal structure prediction

(2010) David C. Lonie et al.   COMPUTER PHYSICS COMMUNICATIONS

Percy W. Bridgman's second century

(2010) Russell J. Hemley   HIGH PRESSURE RESEARCH

Superhard and superconducting structures of BC5

(2010) Quan Li et al.   JOURNAL OF APPLIED PHYSICS

Crystal Structures and Exotic Behavior of Magnesium under Pressure

(2010) Peifang Li et al.   Journal of Physical Chemistry C

Enhancement of superconductivity by pressure-driven competition in electronic order

(2010) Xiao-Jia Chen et al.   NATURE

Aluminium at terapascal pressures

(2010) Chris J. Pickard et al.   NATURE MATERIALS

Crystal structure prediction via particle-swarm optimization

(2010) Yanchao Wang et al.   PHYSICAL REVIEW B

New Superconducting and Semiconducting Fe-B Compounds Predicted with anAb InitioEvolutionary Search

(2010) A. N. Kolmogorov et al.   PHYSICAL REVIEW LETTERS

Superconductivity at  100 K in dense SiH4(H2)2 predicted by first principles

(2010) Y. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Revisiting the Phillips ionicity of conductors and the quantitative determination of the hardness of carbides and nitrides of transition metals using the LDA  U technique

(2010) C. Li et al.   SOLID STATE COMMUNICATIONS

Phase stability of lithium azide at pressures up to 60 GPa

(2009) S A Medvedev et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Direct observation of a pressure-induced metal-to-semiconductor transition in lithium

(2009) Takahiro Matsuoka et al.   NATURE

Transparent dense sodium

(2009) Yanming Ma et al.   NATURE

High pressure studies on Fe-pnictide superconductors

(2009) C.W. Chu et al.   PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS

Superhard Monoclinic Polymorph of Carbon

(2009) Quan Li et al.   PHYSICAL REVIEW LETTERS

Ultimate Metastable Solubility of Boron in Diamond: Synthesis of Superhard DiamondlikeBC5

(2009) Vladimir L. Solozhenko et al.   PHYSICAL REVIEW LETTERS

Harder than Diamond: Superior Indentation Strength of Wurtzite BN and Lonsdaleite

(2009) Zicheng Pan et al.   PHYSICAL REVIEW LETTERS

Pressure Induced Superconductivity in Pristine1T−TiSe2

(2009) A. F. Kusmartseva et al.   PHYSICAL REVIEW LETTERS

High-Pressure Phases of Nitrogen

(2009) Chris J. Pickard et al.   PHYSICAL REVIEW LETTERS

A little bit of lithium does a lot for hydrogen

(2009) E. Zurek et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Formation of transition metal hydrides at high pressures

(2009) Olga Degtyareva et al.   SOLID STATE COMMUNICATIONS

Transition Metal Borides: Superhard versus Ultra-incompressible

(2008) Qinfen Gu et al.   ADVANCED MATERIALS

Origin of hardness in WB4 and its implications for ReB4, TaB4, MoB4, TcB4, and OsB4

(2008) Mei Wang et al.   APPLIED PHYSICS LETTERS

Canonical Entropy and Phase Transition of Rotating Black Hole

(2008) Zhao Ren et al.   CHINESE PHYSICS LETTERS

Suppression of Magnetic Order by Pressure in BaFe2As2

(2008) Hideto Fukazawa et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Highly compressed ammonia forms an ionic crystal

(2008) Chris J. Pickard et al.   NATURE MATERIALS

Comparison of the pressure dependences ofTcin the trivalentd-electron superconductors Sc, Y, La, and Lu up to megabar pressures

(2008) M. Debessai et al.   PHYSICAL REVIEW B

High-TcSuperconductivity in Superhard DiamondlikeBC5

(2008) Matteo Calandra et al.   PHYSICAL REVIEW LETTERS

Electronegativity Identification of Novel Superhard Materials

(2008) Keyan Li et al.   PHYSICAL REVIEW LETTERS

Superconducting Behavior in Compressed SolidSiH4with a Layered Structure

(2008) Xiao-Jia Chen et al.   PHYSICAL REVIEW LETTERS

Superconducting High Pressure Phase of Germane

(2008) Guoying Gao et al.   PHYSICAL REVIEW LETTERS

Superconductivity in Hydrogen Dominant Materials: Silane

(2008) M. I. Eremets et al.   SCIENCE