Prediction of New Low Compressibility Solids
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August 1989 |
Low-Compressibility Carbon Nitrides
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January 1996 |
Elastic and structural instability of cubic and under pressure
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October 2010 |
Structural and electronic properties of magnetic tunnel junction from first principles
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August 2000 |
Room-Temperature Ferromagnetism in Carbon-Doped ZnO
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September 2007 |
Li3SbO4: A new high rate anode material for lithium-ion batteries
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April 2011 |
Topological Insulators in Ternary Compounds with a Honeycomb Lattice
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April 2011 |
New optical transitions in strained Si-Ge superlattices
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September 1987 |
Comparative ab initio study of half-Heusler compounds for optoelectronic applications
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September 2010 |
I-II-V half-Heusler compounds for optoelectronics: Ab initio calculations
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February 2010 |
Ordering in semiconductor alloys
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February 1990 |
Stability of coherently strained semiconductor superlattices
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January 1990 |
Synthesis and Structure of Na3N
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May 2002 |
Cluster-Doping Approach for Wide-Gap Semiconductors: The Case of -Type ZnO
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June 2003 |
Half-Metallic Ferromagnetism and Structural Stability of Zincblende Phases of the Transition-Metal Chalcogenides
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July 2003 |
Synthesis and characterization of a binary noble metal nitride
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April 2004 |
Family of noble metal nitrides: First principles calculations of the elastic stability
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August 2005 |
Theory of Systematic Absence of NaCl-Type ( -Sn–Type) High Pressure Phases in Covalent (Ionic) Semiconductors
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January 1999 |
Instability of the high-pressure CsCl structure in most III-V semiconductors
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September 1999 |
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
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May 2002 |
Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory
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June 2010 |
New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
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August 1965 |
Electronic excitations: density-functional versus many-body Green’s-function approaches
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June 2002 |
Farm Adjustments to Meet War Impacts1
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January 1941 |
Die Kristallstrukturen LiMgN, LiZnN, Li3AlN2 und Li3GaN2 1
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January 1946 |
Die ternären Nitride LiMgN und LiZnN. 16. Mitteilung über Metallamide und Metallnitride
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August 1948 |
Die Verbindungen LiMgP, LiZnP und LiZnAs
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January 1950 |
Electronic structure of filled tetrahedral semiconductors
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February 1985 |
Electronic structure and phase stability of LiZnAs: A half ionic and half covalent tetrahedral semiconductor
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February 1986 |
Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties
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October 2008 |
Evidence for temperature dependent moments ordering in ferromagnetic NiMnSb(100)
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July 2001 |
Effect of Ti substitution on the thermoelectric properties of (Zr,Hf)NiSn half-Heusler compounds
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February 2005 |
Structure and properties of CoMnSb in the context of half-metallic ferromagnetism
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October 2006 |
Preparation and characterization of some A I B II C V type semiconductors
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April 1988 |
Growth and band gap of the filled tetrahedral semiconductor LiMgN
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April 2002 |
Electrical transport properties and crystal structure of LiZnAs
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September 1987 |
Optical band gap of the filled tetrahedral semiconductor LiZnP
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April 1988 |
Optical band gap of the filled tetrahedral semiconductor LiZnAs
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April 1994 |
Raman scattering from the filled tetrahedral semiconductor LiZnAs
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December 2005 |
Tunable multifunctional topological insulators in ternary Heusler compounds
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May 2010 |
Half-Heusler ternary compounds as new multifunctional experimental platforms for topological quantum phenomena
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May 2010 |
Global space-group optimization problem: Finding the stablest crystal structure without constraints
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March 2007 |
Finding the lowest-energy crystal structure starting from randomly selected lattice vectors and atomic positions: first-principles evolutionary study of the Au–Pd, Cd–Pt, Al–Sc, Cu–Pd, Pd–Ti, and Ir–N binary systems
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journal
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July 2008 |
Predicting stable stoichiometries of compounds via evolutionary global space-group optimization
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September 2009 |
Possible pitfalls in theoretical determination of ground-state crystal structures: The case of platinum nitride
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March 2009 |
Long-range order instead of phase separation in large lattice-mismatch isovalent systems
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December 2009 |
Altered Reactivity and the Emergence of Ionic Metal Ordered Structures in Li-Cs at High Pressures
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June 2010 |
Structure prediction and targeted synthesis: A new NanN2 diazenide crystalline structure
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November 2010 |
Molecular Geometry Optimization with a Genetic Algorithm
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July 1995 |
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
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June 2006 |
Ionic high-pressure form of elemental boron
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January 2009 |
Transparent dense sodium
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March 2009 |
A self-interaction corrected approach to many-electron systems: Beyond the local spin density approximation
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June 1980 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
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January 1998 |
Crystal structure prediction from first principles
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December 2008 |
Semiconductor thermochemistry in density functional calculations
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December 2008 |
Preparation and properties of radio-frequency-sputtered half-Heusler films for use in solar cells
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January 2011 |
KAuTe, Synthese und struktur des ersten alkalimetallgoldtellurids
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April 1990 |
Magnetic susceptibility and 119Sn Mössbauer spectroscopy studies of RAuSn compounds (R=La, Ce, Pr)
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January 2001 |
Valence band studies of the RTX (R=Pr,Nd; T=Cu,Ag,Au; X=Ge,Sn) compounds
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December 2000 |
Phasenbeziehungen im System LiGa?Sn und die Kristallstrukturen der intermedi�ren Phasen LiGaSn und Li2Ga2Sn
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July 1993 |
False-positive and false-negative assignments of topological insulators in density functional theory and hybrids
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July 2011 |
Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
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March 1961 |