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P

Peter Blaha

Technische Universitat Wien

87H指数
484论文数
4.6W被引数
收录论文 197
发表时间
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Engineering surface dipoles on mixed conducting oxides with ultra-thin oxide decoration layers
errNATURE COMMUNICATIONS
IF15.7
err2024-02-26
err5
errOAAI
errSiebenhofer, Matthaeus; Nenning, Andreas; Rameshan, Christoph; Blaha, Peter; Fleig, Juergen; Kubicek, Markus
err分享
err收藏
Nonzero spontaneous electric polarization in metals: novel predictive methods and applications
errSCIENTIFIC REPORTS
IF3.9
err2024-01-05
err0
errOAAI
errRahimi, Shahrbano; Jalali-Asadabadi, S.; Blaha, Peter; Jalali-Asadabadi, Farhad
err分享
err收藏
Origin of the success of mGGAs for bandgaps
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-29
err4
errOAAI
errKovacs, Peter; Blaha, Peter; Madsen, Georg K. H.
err分享
err收藏
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows如何通过可重复和通用的工作流程验证密度泛函理论实现的精度
errNATURE REVIEWS PHYSICS
IF39.5
err2023-11-14
err7
errOAAI
errBosoni, Emanuele; Beal, Louis; Bercx, Marnik; Blaha, Peter; Bluegel, Stefan; Broeder, Jens; Callsen, Martin; Cottenier, Stefaan; Degomme, Augustin; Dikan, Vladimir; Eimre, Kristjan; Flage-Larsen, Espen; Fornari, Marco; Garcia, Alberto; Genovese, Luigi; Giantomassi, Matteo; Huber, Sebastiaan P.; Janssen, Henning; Kastlunger, Georg; Krack, Matthias; Kresse, Georg; Kuehne, Thomas D.; Lejaeghere, Kurt; Madsen, Georg K. H.; Marsman, Martijn; Marzari, Nicola; Michalicek, Gregor; Mirhosseini, Hossein; Mueller, Tiziano M. A.; Petretto, Guido; Pickard, Chris J.; Ponce, Samuel; Rignanese, Gian-Marco; Rubel, Oleg; Ruh, Thomas; Sluydts, Michael; Vanpoucke, Danny E. P.; Vijay, Sudarshan; Wolloch, Michael; Wortmann, Daniel; Yakutovich, Aliaksandr V.; Yu, Jusong; Zadoks, Austin; Zhu, Bonan; Pizzi, Giovanni
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DFT plus U Simulation of the X-ray Absorption Near-Edge Structure of Bulk UO2 and PuO2
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-09-05
err1
errOAAI
errChen, Jia-Li; Blaha, Peter; Kaltsoyannis, Nikolas
err分享
err收藏
Large Topological Hall Effect and Spiral Magnetic Order in the Weyl Semimetal SmAlSiWeyl半金属SmAlSi中的大拓扑霍尔效应和螺旋磁序
errPHYSICAL REVIEW X
IF15.7
err2023-03-09
err25
errOAAI
errYao, Xiaohan; Gaudet, Jonathan; Verma, Rahul; Graf, David E.; Yang, Hung-Yu; Bahrami, Faranak; Zhang, Ruiqi; Aczel, Adam A.; Subedi, Sujan; Torchinsky, Darius H.; Sun, Jianwei; Bansil, Arun; Huang, Shin-Ming; Singh, Bahadur; Blaha, Peter; Nikolic, Predrag; Tafti, Fazel
err分享
err收藏
Electronic and ionic effects of sulphur and other acidic adsorbates on the surface of an SOFC cathode material
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2023-01-01
err9
errOAAI
errSiebenhofer, Matthaeus; Nenning, Andreas; Wilson, George E.; Kilner, John A.; Rameshan, Christoph; Kubicek, Markus; Fleig, Juergen; Blaha, Peter
err分享
err收藏
Implementation of self-consistent MGGA functionals in augmented plane wave based methods (vol 105, 195138, 2022)
errPHYSICAL REVIEW B
IF3.7
err2022-10-19
err0
errOAAI
errDoumont, Jan; Tran, Fabien; Blaha, Peter
err分享
err收藏
What is the optimal mGGA exchange functional for solids?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-02
err13
errOAAI
errKovacs, Peter; Tran, Fabien; Blaha, Peter; Madsen, Georg K. H.
err分享
err收藏
Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation Approximations
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-08-19
err4
errOAAI
errGhosh, Arghya; Jana, Subrata; Niranjan, Manish K.; Tran, Fabien; Wimberger, David; Blaha, Peter; Constantin, Lucian A.; Samal, Prasanjit
err分享
err收藏
Implementation of self-consistent MGGA functionals in augmented plane wave based methods在基于增强平面波的方法中实现自洽MGGA泛函
errPHYSICAL REVIEW B
IF3.7
err2022-05-25
err8
errOAAI
errDoumont, Jan; Tran, Fabien; Blaha, Peter
err分享
err收藏
CO Adsorption and Disproportionation on Smooth and Defect-RichIr(111)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-04-08
err5
errOAAI
errLi, Xia; Haunold, Thomas; Werkovits, Stefan; Marks, Laurence D.; Blaha, Peter; Rupprechter, Guenther
err分享
err收藏
WloopPHI: A tool for ab initio characterization of Weyl semimetals
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2022-01-01
err5
errOAAI
errSaini, Himanshu; Laurien, Magdalena; Blaha, Peter; Rubel, Oleg
err分享
err收藏
Stress tensor in the linearized augmented plane wave method
errPHYSICAL REVIEW B
IF3.7
err2021-11-29
err3
PREAI
errBelbase, Kamal; Troester, Andreas; Blaha, Peter
err分享
err收藏
Density analysis for estimating the degree of on-site correlation on transition-metal atoms in extended systems
errPHYSICAL REVIEW B
IF3.7
err2021-10-19
err0
errOAAI
errKalantari, Leila; Tran, Fabien; Blaha, Peter
err分享
err收藏
Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals二维材料的带隙: 现代交换相关功能的全面评估
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-09-08
err33
errOAAI
errTran, Fabien; Doumont, Jan; Kalantari, Leila; Blaha, Peter; Rauch, Tomas; Borlido, Pedro; Botti, Silvana; Marques, Miguel A. L.; Patra, Abhilash; Jana, Subrata; Samal, Prasanjit
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err收藏
Pristine quantum criticality in a Kondo semimetal
errSCIENCE ADVANCES
IF12.5
err2021-05-21
err15
errOAAI
errFuhrman, Wesley T.; Sidorenko, Andrey; Haenel, Jonathan; Winkler, Hannes; Prokofiev, Andrey; Rodriguez-Rivera, Jose A.; Qiu, Yiming; Blaha, Peter; Si, Qimiao; Broholm, Collin L.; Paschen, Silke
err分享
err收藏
Efficient Band Calculation of Two-Dimensional Materials from Semilocal Density Functionals
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-05-13
err25
errOAAI
errPatra, Abhilash; Jana, Subrata; Samal, Prasanjit; Tran, Fabien; Kalantari, Leila; Doumont, Jan; Blaha, Peter
err分享
err收藏
Perturbation approach to ab initio effective mass calculations
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2021-04-01
err26
errOAAI
errRubel, Oleg; Tran, Fabien; Rocquefelte, Xavier; Blaha, Peter
err分享
err收藏
First-principles self-consistent phonon approach to the study of the vibrational properties and structural phase transition of BaTiO3
errPHYSICAL REVIEW B
IF3.7
err2021-03-17
err17
PREAI
errEhsan, S.; Arrigoni, M.; Madsen, G. K. H.; Blaha, P.; Troster, A.
err分享
err收藏

研究方向

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