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1

First-principles nonlocal-pseudopotential approach in the density-functional formalism. II. Application to electronic and structural properties of solids

Zunger, Alex, Cohen, Marvin L.

Journal:

Physical Review B

Year:

1979

Language:

english

File:

PDF, 2.37 MB

english, 1979

2

Quantum-confinement-induced Γ→ X transition in GaAs/AlGaAs quantum films, wires, and dots

Franceschetti, Alberto, Zunger, Alex

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 284 KB

english, 1995

3

: Deficiencies of the k ⋅ p model

Franceschetti, Alberto, Wei, Su-Huai, Zunger, Alex

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 247 KB

english, 1995

4

d -band excitations in II-VI semiconductors: A broken-symmetry approach to the core hole

Zhang, S. B., Wei, S.-H., Zunger, Alex

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 371 KB

english, 1995

5

Diagrammatic Separation of Different Crystal Structures of A2BX4 Compounds Without Energy Minimization: A Pseudopotential Orbital Radii Approach

Xiuwen Zhang, Alex Zunger

Journal:

Advanced Functional Materials

Year:

2010

Language:

english

File:

PDF, 478 KB

english, 2010

6

Momentum-space formalism for the total energy of solids

Ihm, J, Zunger, A, Cohen, M L

Journal:

Journal of Physics C Solid State Physics

Year:

1979

Language:

english

File:

PDF, 827 KB

english, 1979

7

Zinc-blende–wurtzite polytypism in semiconductors

Yeh, Chin-Yu, Lu, Z. W., Froyen, S., Zunger, Alex

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 591 KB

english, 1992

8

Predictions and systematizations of the zinc-blende–wurtzite structural energies in binary octet compounds

Yeh, Chin-Yu, Lu, Z. W., Froyen, S., Zunger, Alex

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 211 KB

english, 1992

9

Optical properties of hexagonal boron nitride

Zunger, A., Katzir, A., Halperin, A.

Journal:

Physical Review B

Year:

1976

Language:

english

File:

PDF, 862 KB

english, 1976

10

Quasi bands in Green's-function defect models

Lindefelt, U., Zunger, Alex

Journal:

Physical Review B

Year:

1981

Language:

english

File:

PDF, 1.20 MB

english, 1981

11

Electronic structure of generic semiconductors: Antifluorite silicide and III-V compounds

Wood, D. M., Zunger, Alex

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 4.09 MB

english, 1986

12

Electronic structure of transition-atom impurities in GaP

Singh, V. A., Zunger, Alex

Journal:

Physical Review B

Year:

1985

Language:

english

File:

PDF, 1.86 MB

english, 1985

13

Inverse design in search of materials with target functionalities

Journal:

Nature Reviews Chemistry

Year:

2018

Language:

english

File:

PDF, 3.36 MB

english, 2018

14

Pseudopotential Theory of Semiconductor Quantum Dots

Journal:

physica status solidi (b)

Year:

2001

Language:

english

File:

PDF, 553 KB

english, 2001

15

Electronic structure of II–VI compounds and their alloys — role of cation d bands

Su-Huai Wei, Alex Zunger

Journal:

Journal of Crystal Growth

Year:

1990

Language:

english

File:

PDF, 690 KB

english, 1990

16

The origin of Schottky barriers on the cleavage plane of III–V semiconductors: Review of some recent theoretical work

Journal:

Thin Solid Films

Year:

1983

Language:

english

File:

PDF, 1.02 MB

english, 1983

17

Electronic structure of ultrathin SinGen strained superlattices: The possibility of direct band gaps

Sverre Froyen, D.M. Wood, Alex Zunger

Journal:

Thin Solid Films

Year:

1989

Language:

english

File:

PDF, 834 KB

english, 1989

18

10.1038/46995

Franceschetti, Alberto, Zunger, Alex

Journal:

Year:

1999

Language:

english

File:

PDF, 1.41 MB

english, 1999

19

Theory of the band-gap anomaly in ABC_{2} chalcopyrite semiconductors

Zunger, Alex, Jaffe, J.

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 2.74 MB

english, 1984

20

Successes and failures of the k⋅p method: A direct assessment for GaAs/AlAs quantum structures

Wood, D., Zunger, Alex

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 424 KB

english, 1996

21

Electronic structure of CuCl

Zunger, Alex, Cohen, Marvin

Journal:

Physical Review B

Year:

1979

Language:

english

File:

PDF, 319 KB

english, 1979

22

First-principles calculation of alloy phase diagrams: The renormalized-interaction approach

Ferreira, L., Wei, Su-Huai, Zunger, Alex

Journal:

Physical Review B

Year:

1989

Language:

english

File:

PDF, 1.86 MB

english, 1989

23

Special quasirandom structures

Zunger, Alex, Wei, S.-H., Ferreira, L. G., Bernard, James E.

Journal:

Physical Review Letters

Year:

1990

Language:

english

File:

PDF, 196 KB

english, 1990

24

Pseudopotential calculations of nanoscale CdSe quantum dots

Wang, Lin-Wang, Zunger, Alex

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 120 KB

english, 1996

25

Te semiconductor alloy and its binary constituents

Wei, Su-Huai, Zunger, Alex

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 1.33 MB

english, 1987

26

Bond lengths around isovalent impurities and in semiconductor solid solutions

Martins, José Luís, Zunger, Alex

Journal:

Physical Review B

Year:

1984

Language:

english

File:

PDF, 311 KB

english, 1984

27

Confinement, surface, and chemisorption effects on the optical properties of Si quantum wires

Yeh, Chin-Yu, Zhang, S. B., Zunger, Alex

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 964 KB

english, 1994

28

Electronic origins of the magnetic phase transitions in zinc-blende Mn chalcogenides

Wei, Su-Huai, Zunger, Alex

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 201 KB

english, 1993

29

Dopability, Intrinsic Conductivity, and Nonstoichiometry of Transparent Conducting Oxides

Lany, Stephan, Zunger, Alex

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 359 KB

english, 2007

30

Lifetime and polarization of the radiative decay of excitons, biexcitons, and trions in CdSe nanocrystal quantum dots

Califano, Marco, Franceschetti, Alberto, Zunger, Alex

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 337 KB

english, 2007

31

Temperature Dependence of Excitonic Radiative Decay in CdSe Quantum Dots: The Role of Surface Hole Traps

Califano, Marco, Franceschetti, Alberto, Zunger, Alex

Journal:

Year:

2005

Language:

english

File:

PDF, 182 KB

english, 2005

32

[Solid State Physics] Volume 39 || Electronic Structure of 3d Transition-Atom Impurities in Semiconductors

Year:

1986

Language:

english

File:

PDF, 10.15 MB

english, 1986

33

Predicting stable stoichiometries of compounds via evolutionary global space-group optimization

Trimarchi, Giancarlo, Freeman, Arthur J., Zunger, Alex

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 433 KB

english, 2009

34

Electronic structure of filled tetrahedral semiconductors

Wood, D. M., Zunger, Alex, de Groot, R.

Journal:

Physical Review B

Year:

1985

Language:

english

File:

PDF, 389 KB

english, 1985

35

Role of metal d states in II-VI semiconductors

Wei, S.-H., Zunger, Alex

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 3.78 MB

english, 1988

36

Local-density-derived semiempirical pseudopotentials

Wang, Lin-Wang, Zunger, Alex

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 1.09 MB

english, 1995

37

Ordered-vacancy-compound semiconductors: Pseudocubic

Bernard, James E., Zunger, Alex

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 2.98 MB

english, 1988

38

Stability of bulk and pseudomorphic epitaxial semiconductors and their alloys

Mbaye, A. A., Wood, D. M., Zunger, Alex

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 2.07 MB

english, 1988

39

Optical bowing in zinc chalcogenide semiconductor alloys

Bernard, James E., Zunger, Alex

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 961 KB

english, 1986

40

Local-density self-consistent energy-band structure of cubic CdS

Zunger, Alex, Freeman, A. J.

Journal:

Physical Review B

Year:

1978

Language:

english

File:

PDF, 1.53 MB

english, 1978

41

Electronic structure of ZnS, ZnSe, ZnTe, and their pseudobinary alloys

Bernard, James E., Zunger, Alex

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 2.72 MB

english, 1987

42

Relationships between the band gaps of the zinc-blende and wurtzite modifications of semiconductors

Yeh, Chin-Yu, Wei, Su-Huai, Zunger, Alex

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 215 KB

english, 1994

43

Structural and chemical changes in binary versus ternary tetrahedral semiconductors

Martins, José Luís, Zunger, Alex

Journal:

Physical Review B

Year:

1985

Language:

english

File:

PDF, 296 KB

english, 1985

44

Hidden spin polarization in inversion-symmetric bulk crystals

Zhang, Xiuwen, Liu, Qihang, Luo, Jun-Wei, Freeman, Arthur J., Zunger, Alex

Journal:

Year:

2014

Language:

english

File:

PDF, 1.32 MB

english, 2014

45

New optical transitions in strained Si-Ge superlattices

Froyen, Sverre, Wood, D. M., Zunger, Alex

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 208 KB

english, 1987

46

chalcopyrite semiconductors

Jaffe, J. E., Zunger, Alex

Journal:

Physical Review B

Year:

1983

Language:

english

File:

PDF, 157 KB

english, 1983

47

, and CuIn

Jaffe, J. E., Zunger, Alex

Journal:

Physical Review B

Year:

1983

Language:

english

File:

PDF, 1.88 MB

english, 1983

48

First-principles nonlocal-pseudopotential approach in the density-functional formalism: Development and application to atoms

Zunger, Alex, Cohen, Marvin L.

Journal:

Physical Review B

Year:

1978

Language:

english

File:

PDF, 1.57 MB

english, 1978

49

New approach for solving the density-functional self-consistent-field problem

Bendt, Paul, Zunger, Alex

Journal:

Physical Review B

Year:

1982

Language:

english

File:

PDF, 1.20 MB

english, 1982

50

Pd

Lu, Z. W., Wei, S.-H., Zunger, Alex

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 1.90 MB

english, 1992

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