Update pub.bib (#202)

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+@Article{Chen_PhysRevB_2009_v80_p165121,
+    author =   {Mohan Chen and Wei Fang and G.-Z. Sun and G.-C. Guo and Lixin He},
+    title =    {{Method to construct transferable minimal basis sets forab
+             initiocalculations}},
+    journal =  {Phys. Rev. B},
+    year =     2009,
+    volume =   80,
+    number =   16,
+    pages =    165121,
+    doi =      {10.1103/PhysRevB.80.165121},
+    abstract = {We propose a scheme to construct transferable minimal basis of
+             localized orbitals for ab initio calculations. We first extract a set
+             of highly localized Wannier-type orbitals from the reference systems.
+             For each orbital, we decompose it to a pseudoatomic orbital, augmented
+             by small local functions centered at its nearest-neighbor atoms. When
+             applied for a real system, the center of each local function moves
+             with its associated atoms, without changing its shape and amplitude.
+             We have done intensive tests of this scheme for
+             III{\textbackslash}char21{\{}{\}}V and group IV semiconductors and
+             find the modified orbitals have very good transferability while still
+             keep the basis size minimal. This work discusses why Wannier and
+             Wannier-type functions are not transferable as one may expect.},
+}
+
+@Article{Li_PhysRevB_2023_v107_p35433,
+    author =   {Pengfei Li and Rong Shi and Peize Lin and Xinguo Ren},
+    title =    {{First-principles calculations of plasmon excitations in graphene,
+             silicene, and germanene}},
+    journal =  {Phys. Rev. B},
+    year =     2023,
+    volume =   107,
+    number =   3,
+    pages =    35433,
+    doi =      {10.1103/PhysRevB.107.035433},
+    abstract = {Plasmon excitations in graphene, silicene and germanene are studied
+             using linear-response time-dependent density functional theory within
+             the random phase approximation (RPA). Here, we examine both the
+             plasmon dispersion behavior and lifetime of extrinsic and intrinsic
+             plasmons for these three materials. For extrinsic plasmons, we found
+             that their properties are closely related to Landau damping. In the
+             region without single-particle excitation (SPE), the plasmon
+             dispersion shows a {\ensuremath{\sqrt{}}} q behavior and the lifetime
+             is in{fi}nite at the RPA level, while in the single-particle
+             excitation region, the plasmon dispersion shows a quasilinear behavior
+             and the lifetime is {fi}nite. Moreover, for intrinsic plasmons, unlike
+             graphene, the plasmon dispersion behavior of silicene and germanene
+             exhibits a two-peak structure, which can be attributed to the complex
+             and hybridized band structure of these two materials.},
+}
+
+@Article{Sun_PhysRevB_2023_v108_p75158,
+    author =   {Liang Sun and Yuanbo Li and Mohan Chen},
+    title =    {{Truncated nonlocal kinetic energy density functionals for simple
+             metals and silicon}},
+    journal =  {Phys. Rev. B},
+    year =     2023,
+    volume =   108,
+    number =   7,
+    pages =    75158,
+    doi =      {10.1103/PhysRevB.108.075158},
+    abstract = {Adopting an accurate kinetic energy density functional (KEDF) to
+             characterize the noninteracting kinetic energy within the framework of
+             orbital-free density functional theory (OFDFT) is challenging. We
+             propose a new form of the non-local KEDF with a real-space truncation
+             cutoff that satisfies the uniform electron gas limit and design KEDFs
+             for simple metals and silicon. The new KEDFs are obtained by
+             minimizing a residual function, which contains the differences in the
+             total energy and charge density of several representative systems with
+             respect to the Kohn-Sham DFT results. By systematically testing
+             different cutoffs of the new KEDFs, we find that the cutoff plays a
+             crucial role in determining the properties of metallic Al and
+             semiconductor Si systems. We conclude that the new KEDF with a
+             sufficiently long cutoff performs even better than some representative
+             non-local KEDFs in some aspects, which sheds new light on optimizing
+             the KEDFs in OFDFT to achieve better accuracy.},
+}
+
+@Article{Bakhsh_BeilsteinJNanotechnol_2024_v15_p310,
+    author =   {Sunila Bakhsh and Muhammad Khalid and Sameen Aslam and Muhammad Sohail
+             and Muhammad Aamir Iqbal and Mujtaba Ikram and Kareem Morsy},
+    title =    {{Investigating structural and electronic properties of neutral zinc
+             clusters: a G0W0 and G0W0{\CYRG}0(1) benchmark}},
+    journal =  {Beilstein J. Nanotechnol.},
+    year =     2024,
+    volume =   15,
+    pages =    {310--316},
+    doi =      {10.3762/bjnano.15.28},
+    abstract = {The structural and electronic properties of zinc clusters (Znn) for a
+             size range of n = 2-15 are studied using density functional theory.
+             The particle swarm optimization algorithm is employed to search the
+             structure and to determine the ground-state structure of the neutral
+             Zn clusters. The structural motifs are optimized using the density
+             functional theory approach to ensure that the structures are fully
+             relaxed. Results are compared with the literature to validate the
+             accuracy of the prediction method. The binding energy per cluster is
+             obtained and compared with the reported literature to study the
+             stability of these structures. We further assess the electronic
+             properties, including the ionization potential, using the all-electron
+             FHI-aims code employing G0W0 calculations, and the G0W0{\CYRG}0(1)
+             correction for a few smaller clusters, which provides a better
+             estimation of the ionization potential compared to other methods.},
+}
+
+@Article{Zhang_AdvMaterDeerfieldBeachFla_2024_pe2411137,
+    author =   {Xiaoqian Zhang and Qiangsheng Lu and Zhen-Xiong Shen and Wei Niu and
+             Xiangrui Liu and Jiahua Lu and Wenting Lin and Lulu Han and Yakui Weng
+             and Tianhao Shao and Pengfei Yan and Quan Ren and Huayao Li and Tay-
+             Rong Chang and David J. Singh and Lixin He and Liang He and Chang Liu
+             and Guang Bian and Lin Miao and Yongbing Xu},
+    title =    {{Substantially Enhanced Spin Polarization in Epitaxial CrTe2 Quantum
+             Films}},
+    journal =  {Adv. Mater. (Deerfield Beach Fla,)},
+    year =     2024,
+    pages =    {e2411137},
+    doi =      {10.1002/adma.202411137},
+    abstract = {2D van der Waals (vdW) magnets, which extend to the monolayer (ML)
+             limit, are rapidly gaining prominence in logic applications for low-
+             power electronics. To improve the performance of spintronic devices,
+             such as vdW magnetic tunnel junctions, a large effective spin
+             polarization of valence electrons is highly desired. Despite its
+             considerable significance, direct probe of spin polarization in these
+             2D magnets has not been extensively explored. Here, using 2D vdW
+             ferromagnet of CrTe2 as a prototype, the spin degrees of freedom in
+             the thin films are directly probed using Mott polarimetry. The
+             electronic band of 50 ML CrTe2 thin film, spanning the Brillouin zone,
+             exhibits pronounced spin-splitting with polarization peaking at
+             7.9{\%} along the out-of-plane direction. Surprisingly, atomic-layer-
+             dependent spin-resolved measurements show a significantly enhanced
+             spin polarization in a 3 ML CrTe2 film, achieving 23.4{\%}
+             polarization even in the absence of an external magnetic field. The
+             demonstrated correlation between spin polarization and film thickness
+             highlights the pivotal influence of perpendicular magnetic anisotropy,
+             interlayer interactions, and itinerant behavior on these properties,
+             as corroborated by theoretical analysis. This groundbreaking
+             experimental verification of intrinsic effective spin polarization in
+             CrTe2 ultrathin films marks a significant advance in establishing 2D
+             ferromagnetic atomic layers as a promising platform for innovative
+             vdW-based spintronic devices.},
+}
+
+@Article{Zhang_npjComputMater_2024_v10_p293,
+    author =   {Duo Zhang and Xinzijian Liu and Xiangyu Zhang and Chengqian Zhang and
+             Chun Cai and Hangrui Bi and Yiming Du and Xuejian Qin and Anyang Peng
+             and Jiameng Huang and Bowen Li and Yifan Shan and Jinzhe Zeng and
+             Yuzhi Zhang and Siyuan Liu and Yifan Li and Junhan Chang and Xinyan
+             Wang and Shuo Zhou and Jianchuan Liu and Xiaoshan Luo and Zhenyu Wang
+             and Wanrun Jiang and Jing Wu and Yudi Yang and Jiyuan Yang and Manyi
+             Yang and Fu-Qiang Gong and Linshuang Zhang and Mengchao Shi and Fu-Zhi
+             Dai and Darrin M. York and Shi Liu and Tong Zhu and Zhicheng Zhong and
+             Jian Lv and Jun Cheng and Weile Jia and Mohan Chen and Guolin Ke and
+             Weinan E and Linfeng Zhang and Han Wang},
+    title =    {{DPA-2: a large atomic model as a multi-task learner}},
+    journal =  {npj Comput. Mater},
+    year =     2024,
+    volume =   10,
+    number =   1,
+    pages =    293,
+    doi =      {10.1038/s41524-024-01493-2},
+}
+
+@Article{Sun_NanoLett_2024_v24_p16283,
+    author =   {Dongdong Sun and Xudong Zhu and Shaochuan Chen and Haotian Fang and
+             Guixu Zhu and Gongpeng Lan and Lixin He and Yuanyuan Shi},
+    title =    {{Uniformity, Linearity, and Symmetry Enhancement in TiOx/MoS2-xOx Based
+             Analog RRAM via S-Vacancy Confined Nanofilament}},
+    journal =  {Nano Lett.},
+    year =     2024,
+    volume =   24,
+    number =   51,
+    pages =    {16283--16292},
+    doi =      {10.1021/acs.nanolett.4c04434},
+    abstract = {Due to the stochastic formation of conductive filaments (CFs), analog
+             resistive random-access memory (RRAM) struggles to simultaneously
+             achieve low variability, high linearity, and symmetry in conductance
+             tuning, thus complicating on-chip training and limiting versatility of
+             RRAM based computing-in-memory (CIM) chips. In this study, we present
+             a simple and effective approach using monolayer (ML) MoS2 as
+             interlayer to control the CFs formation in TiOx switching layer. The
+             limited S-vacancies (Sv) in MoS2-xOx interlayer can further confine
+             the position, size, and quantity of CFs, resulting in a highly uniform
+             and symmetrical switching behavior. The set and reset voltages (Vset
+             and Vreset) in TiOx/MoS2-xOx based RRAM are symmetric, with cycle-to-
+             cycle variations of 1.28{\%} and 1.7{\%}, respectively. Moreover, high
+             conductance tuning linearity and 64-level switching capabilities are
+             achieved, which facilitate high accuracy (93.02{\%}) on-chip training.
+             This method mitigates the device nonidealities of analog RRAM through
+             Sv confined CFs, accelerating the development of RRAM based CIM chips.},
+}
+
 @Article{Zhang_PhysRevB_2024_v110_p224419,
     author =   {Tinghai Zhang and Yantao Cao and Bo Zhang and Hanjie Guo and Liang
              Qiao and Fashen Li and Zhiwei Li},