Published in Phys Rev Lett on July 07, 2008
Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides. Phys Rev Lett (2007) 2.01
Evolutionary approach for determining first-principles hamiltonians. Nat Mater (2005) 1.72
Charge self-regulation upon changing the oxidation state of transition metals in insulators. Nature (2008) 1.69
Importance of second-order piezoelectric effects in zinc-blende semiconductors. Phys Rev Lett (2006) 1.38
Atomic control of conductivity versus ferromagnetism in wide-gap oxides via selective doping: V, Nb, Ta in anatase TiO2. Phys Rev Lett (2008) 1.23
Pseudopotential theory of Auger processes in CdSe quantum dots. Phys Rev Lett (2003) 1.14
Switching a normal insulator into a topological insulator via electric field with application to phosphorene. Nano Lett (2015) 1.14
Genetic-algorithm discovery of a direct-gap and optically allowed superstructure from indirect-gap Si and Ge semiconductors. Phys Rev Lett (2012) 1.09
Identification of potential photovoltaic absorbers based on first-principles spectroscopic screening of materials. Phys Rev Lett (2012) 1.04
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Genomic design of strong direct-gap optical transition in Si/Ge core/multishell nanowires. Nano Lett (2012) 1.01
Electronic correlation in anion p orbitals impedes ferromagnetism due to cation vacancies in Zn chalcogenides. Phys Rev Lett (2009) 1.01
Metal-dimer atomic reconstruction leading to deep donor states of the anion vacancy in II-VI and chalcopyrite semiconductors. Phys Rev Lett (2004) 0.99
Origins of coexistence of conductivity and transparency in SnO(2). Phys Rev Lett (2002) 0.97
Searching for alloy configurations with target physical properties: impurity design via a genetic algorithm inverse band structure approach. Phys Rev Lett (2006) 0.97
Two-dimensional polaronic behavior in the binary oxides m-HfO2 and m-ZrO2. Phys Rev Lett (2012) 0.91
Theoretical prediction and experimental realization of new stable inorganic materials using the inverse design approach. J Am Chem Soc (2013) 0.89
The peculiar electronic structure of PbSe quantum dots. Nano Lett (2006) 0.87
Assessing capability of semiconductors to split water using ionization potentials and electron affinities only. Phys Chem Chem Phys (2014) 0.87
Band-gap design of quaternary (In,Ga)(As,Sb) semiconductors via the inverse-band-structure approach. Phys Rev Lett (2008) 0.87
Structure prediction and targeted synthesis: a new Na(n)N2 diazenide crystalline structure. J Chem Phys (2010) 0.87
Temperature dependence of excitonic radiative decay in CdSe quantum dots: the role of surface hole traps. Nano Lett (2005) 0.84
Altered reactivity and the emergence of ionic metal ordered structures in Li-Cs at high pressures. Phys Rev Lett (2010) 0.83
Unusual directional dependence of exchange energies in GaAs diluted with Mn: is the RKKY description relevant? Phys Rev Lett (2004) 0.83
Impurity clustering and ferromagnetic interactions that are not carrier induced in dilute magnetic semiconductors: the case of Cu2O:Co. Phys Rev Lett (2007) 0.80
Cluster-doping approach for wide-gap semiconductors: the case of p-type ZnO. Phys Rev Lett (2003) 0.79
Effect of extended strain fields on point defect phonon scattering in thermoelectric materials. Phys Chem Chem Phys (2015) 0.79
Effective band structure of random alloys. Phys Rev Lett (2010) 0.79
Room-temperature ferromagnetism in Mn-doped semiconducting CdGeP2. Phys Rev Lett (2002) 0.79
Highly reduced fine-structure splitting in InAs/InP quantum dots offering an efficient on-demand entangled 1.55-microm photon emitter. Phys Rev Lett (2008) 0.79
Discovery of a novel linear-in-k spin splitting for holes in the 2D GaAs/AlAs system. Phys Rev Lett (2010) 0.79
Carrier multiplication in semiconductor nanocrystals: theoretical screening of candidate materials based on band-structure effects. Nano Lett (2008) 0.79
Design principles and coupling mechanisms in the 2D quantum well topological insulator HgTe/CdTe. Phys Rev Lett (2010) 0.79
Intrinsic DX centers in ternary chalcopyrite semiconductors. Phys Rev Lett (2008) 0.79
Full-zone spin splitting for electrons and holes in bulk GaAs and GaSb. Phys Rev Lett (2009) 0.78
Theory of excitonic spectra and entanglement engineering in dot molecules. Phys Rev Lett (2004) 0.78
Evolution of electronic structure as a function of layer thickness in group-VIB transition metal dichalcogenides: emergence of localization prototypes. Nano Lett (2015) 0.77
Genetic design of enhanced valley splitting towards a spin qubit in silicon. Nat Commun (2013) 0.75
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Reinterpretation of the expected electronic density of states of semiconductor nanowires. Nano Lett (2014) 0.75
Adaptive crystal structures: CuAu and NiPt. Phys Rev Lett (2003) 0.75
Wide InP nanowires with wurtzite/zincblende superlattice segments are type-II whereas narrower nanowires become type-I: an atomistic pseudopotential calculation. Nano Lett (2010) 0.75
Prediction of an excitonic ground state in InAs/InSb quantum dots. Phys Rev Lett (2005) 0.75
Simple point-ion electrostatic model explains the cation distribution in spinel oxides. Phys Rev Lett (2010) 0.75
Electronic phase diagrams of carriers in self-assembled quantum dots: violation of Hund's rule and the Aufbau principle for holes. Phys Rev Lett (2005) 0.75
Direct-bandgap InAs quantum-dots have long-range electron-hole exchange whereas indirect gap Si dots have short-range exchange. Nano Lett (2009) 0.75
Excited-state relaxation in PbSe quantum dots. J Chem Phys (2008) 0.75
Strain-minimizing tetrahedral networks of semiconductor alloys. Phys Rev Lett (2007) 0.75
Finding the atomic configuration with a required physical property in multi-atom structures. J Phys Condens Matter (2007) 0.75
Thermodynamic theory of epitaxial alloys: first-principles mixed-basis cluster expansion of (In, Ga)N alloy film. J Phys Condens Matter (2009) 0.75
Universal electrostatic origin of cation ordering in A2BO4 spinel oxides. J Am Chem Soc (2011) 0.75